SMILES for Isoform D of Beta-secretase 1 (BACE-I-432)

123 SMILES Strings for Isoform D of Beta-secretase 1 (BACE-I-432)

Compound Name

SMILES String

BDBM207625

C[C@H]1SC(N)=N[C@]2(CO[C@@H](CF)C[C@@H]12)c1ccc(F)cc1F |c:4|

BDBM50081643

[H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F |r,t:11|

BDBM50078349

[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5|

BDBM50078320

[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F |r,c:5|

BDBM207626

CCOC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:11|

BDBM207627

CC(C)OC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:12|

BDBM50078321

[H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC(C)C)C2)c1ccc(F)cc1F |r,c:5|

BDBM50078324

[H][C@]12CSC(N)=N[C@]1(CO[C@@H](COC)C2)c1ccc(F)cc1F |r,c:5|

BDBM223406

[H][C@@]12CCOC[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |t:8|

BDBM223407

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |c:7|

BDBM223408

[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 |c:5|

BDBM223409

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2coc(CF)n2)cs1 |c:7|

BDBM223410

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 |c:7|

BDBM223411

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |c:7|

BDBM223412

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 |c:7|

BDBM223413

[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |c:5|

BDBM223414

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |c:7|

BDBM223415

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2coc(n2)C(F)F)cs1 |c:7|

BDBM223322

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 |r,c:7|

BDBM223323

COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|

BDBM223324

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(CF)cn2)cs1 |r,c:7|

BDBM223325

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(F)F)cn2)cs1 |r,c:7|

BDBM223326

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 |r,c:7|

BDBM223327

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cc2)cs1 |r,c:7|

BDBM223328

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)F)cs1 |r,c:7|

BDBM223329

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)(F)F)cs1 |r,c:7|

BDBM223330

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 |r,c:7|

BDBM223331

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2F)cs1 |r,c:7|

BDBM223332

COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|

BDBM223333

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 |r,c:7|

BDBM223334

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cc2)cs1 |r,c:7|

BDBM223335

CC#CCOc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|

BDBM223336

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc3ccccn3n2)cs1 |r,c:7|

BDBM223337

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(C)n2)cs1 |r,c:7|

BDBM223338

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)F)cs1 |r,c:7|

BDBM223339

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCF)cn2)cs1 |r,c:7|

BDBM223340

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C2CC2)cs1 |r,c:7|

BDBM223341

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnccn2)cs1 |r,c:7|

BDBM223342

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nc2C)cs1 |r,c:7|

BDBM223343

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cccnn2)cs1 |r,c:7|

BDBM223344

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C2CC2)cs1 |r,c:7|

BDBM223345

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C(F)(F)F)cs1 |r,c:7|

BDBM223346

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(cn2)C2CCC2)cs1 |r,c:7|

BDBM223347

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(nn2C)C2CCC2)cs1 |r,c:7|

BDBM223348

COCc1cc(no1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|

BDBM223349

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(=O)n(C)c2)cs1 |r,c:7|

BDBM223350

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC(F)F)cn2)cs1 |r,c:7|

BDBM223351

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C(F)(F)F)cs1 |r,c:7|

BDBM223352

CCc1cc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 |r,c:25|

BDBM223353

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(C)n2)cs1 |r,c:7|

BDBM223354

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)nn2C)cs1 |r,c:7|

BDBM223355

CCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:28|

BDBM223356

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncn(C)n2)cs1 |r,c:7|

BDBM223357

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(C)(F)F)cn2)cs1 |r,c:7|

BDBM223358

[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:5|

BDBM223359

COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)n1 |r,c:26|

BDBM223360

COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)c1 |r,c:26|

BDBM223361

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)nc2)cs1 |r,c:7|

BDBM223362

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(C)n2)cs1 |r,c:7|

BDBM223363

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C(F)(F)F)cs1 |r,c:7|

BDBM223364

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)no2)cs1 |r,c:7|

BDBM223365

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2noc(C)n2)cs1 |r,c:7|

BDBM223366

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C)cs1 |r,c:7|

BDBM223367

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC3CC3)cn2)cs1 |r,c:7|

BDBM223368

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC3CC3)cn2)cs1 |r,c:7|

BDBM223369

C[C@@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|

BDBM223370

C[C@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|

BDBM223371

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(C)(F)F)cn2)cs1 |r,c:7|

BDBM223416

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2oc(C)nc2C)cs1 |c:7|

BDBM223417

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cn(C)nc2C(F)(F)F)cs1 |c:7|

BDBM223418

CC(C)n1cnc(c1)C(=O)Nc1csc(n1)C12CO[C@@H](C)C[C@H]1CSC(N)=N2 |c:29|

BDBM223419

CC(C)Cc1cc(no1)C(=O)Nc1csc(n1)C12CO[C@@H](C)C[C@H]1CSC(N)=N2 |c:30|

BDBM223420

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cnn(C)c2)cs1 |c:7|

BDBM223421

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cc(C)on2)cs1 |c:7|

BDBM223422

CC(C)Cc1cc(nn1C)C(=O)Nc1csc(n1)C12CO[C@@H](C)C[C@H]1CSC(N)=N2 |c:31|

BDBM223423

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccncn2)cs1 |c:7|

BDBM223424

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cc(C)no2)cs1 |c:7|

BDBM223425

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cnc(C)cn2)cs1 |c:7|

BDBM223426

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cc3CCCn3n2)cs1 |c:7|

BDBM223427

CC(C)c1cc(C(=O)Nc2csc(n2)C23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 |c:26|

BDBM223428

CCc1cc(on1)C(=O)Nc1csc(n1)C12CO[C@@H](C)C[C@H]1CSC(N)=N2 |c:28|

BDBM223429

CCn1cc(cn1)C(=O)Nc1csc(n1)C12CO[C@@H](C)C[C@H]1CSC(N)=N2 |c:28|

BDBM223430

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cc(C)n(C)n2)cs1 |c:7|

BDBM223431

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ncnn2C)cs1 |c:7|

BDBM223432

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cn(C)cn2)cs1 |c:7|

BDBM223433

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cn(C)nn2)cs1 |c:7|

BDBM223434

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccon2)cs1 |c:7|

BDBM223435

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)C2CC(F)(F)C2)cs1 |c:7|

BDBM223436

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ncccn2)cs1 |c:7|

BDBM223437

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cnn(c2)C2CC2)cs1 |c:7|

BDBM223438

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cc(Cl)n(C)n2)cs1 |c:7|

BDBM223439

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cnc(cn2)C2CC2)cs1 |c:7|

BDBM223440

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2cnn(c2)C(F)F)cs1 |c:7|

BDBM223441

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccn(n2)C2CC2)cs1 |c:7|

BDBM223442

C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccnn2C2CC2)cs1 |c:7|

BDBM223443

CC(C)c1nc(co1)C(=O)Nc1csc(n1)C12CO[C@@H](C)C[C@H]1CSC(N)=N2 |c:29|

BDBM223372

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC(F)F)n2)cs1 |r,c:7|

BDBM223373

COCCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:30|

BDBM223374

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC#C)n2)cs1 |r,c:7|

BDBM223375

COCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|

BDBM223376

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CC(F)(F)F)n2)cs1 |r,c:7|

BDBM223377

CC#CCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:30|

BDBM223378

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CCC2)cs1 |r,c:7|

BDBM223379

CC#CCOc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|

BDBM223380

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(co2)C(F)F)cs1 |r,c:7|

BDBM223381

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 |r,c:7|

BDBM223382

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cn2)cs1 |r,c:7|

BDBM223383

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)nc2C)cs1 |r,c:7|

BDBM223384

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,c:7|

BDBM223385

COCC(F)(F)c1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:33|

BDBM223386

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC[N+]#[C-])cn2)cs1 |r,c:7|

BDBM223387

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(CF)oc2C)cs1 |r,c:7|

BDBM223388

COCC(F)(F)c1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:33|

BDBM223389

CCC(F)(F)Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:33|

BDBM223390

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C23CC(C2)C3)cs1 |r,c:7|

BDBM223391

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CC2)C#N)cs1 |r,c:7|

BDBM223392

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CC2)cs1 |r,c:7|

BDBM223393

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CCC2)[N+]#[C-])cs1 |r,c:7|

BDBM223394

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(C)CCC2)cs1 |r,c:7|

BDBM223395

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:7|

BDBM223396

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,c:7|

BDBM223400

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:7|

BDBM223398

C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|