SMILES for Ectonucleoside triphosphate diphosphohydrolase 1

71 SMILES Strings for Ectonucleoside triphosphate diphosphohydrolase 1

Compound Name

SMILES String

CC(C)(C)CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r|

CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|

BDBM50369524

CCCCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50369522

CCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50010311

CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50552126

CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50552127

CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50179358

CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O

BDBM50195359

CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Br)(Br)P([O-])([O-])=O)[C@@H](O)[C@H]1O |r|

BDBM50262252

CCOP(=O)(CNC(=O)CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OCC |r|

BDBM50262251

CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC |r|

BDBM50262373

CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC |r|

BDBM50262250

CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1)OCC |r|

BDBM50262372

CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)OCC |r|

BDBM50276788

COc1ccc(OC)c(c1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F

BDBM50276790

COc1ccc(cc1)-c1cccc2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(nc12)C(F)(F)F

BDBM50276780

COc1ccc(cc1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F

BDBM50336767

COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

BDBM50546280

C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|

BDBM50527134

C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|

BDBM50546288

C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|

BDBM50468629

Cc1cc(=O)n([nH]1)C(=O)c1ccc(C)cc1

BDBM50468630

Cc1cc(=O)n([nH]1)C(=O)c1ccc(N)cc1

BDBM50468627

Cc1cc(C)n(n1)C(=O)c1ccc(Cl)cc1

BDBM50468634

Cc1cc(C)n(n1)C(=O)c1ccc(N)cc1

BDBM50468624

Cc1cc(C)n(n1)C(=O)c1ccc2ccccc2c1

BDBM50468628

Cc1cc(C)n(n1)C(=O)c1cccc(C)c1

BDBM50468623

Cc1cc(C)n(n1)C(=O)c1ccccc1C

BDBM62527

Cc1cc(C)n(n1)C(=O)c1ccncc1

BDBM50262422

Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|

BDBM50276787

Cc1ccc(cc1)-c1cccc2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(nc12)C(F)(F)F

BDBM50336799

Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

BDBM50276781

Cc1cccc(c1)-c1cccc2c(-c3cccc(C)c3)c(-c3cccc(C)c3)c(nc12)C(F)(F)F

BDBM50468631

Cc1n[nH]c(C)c1Oc1ccc2ccccc2c1

BDBM50468639

Cc1nn(C(=O)\C=C\c2ccccc2)c(C)c1Cl

BDBM50468626

Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Cl

BDBM23722

Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl

BDBM50468638

Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccc(C)cc1

BDBM50468625

Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Cl

BDBM50468635

Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Oc1ccc(C)cc1

BDBM50468636

Cc1nn(C(=O)c2ccc3ccccc3c2)c(C)c1Cl

BDBM50468637

Cc1nn(C(=O)c2cccc(C)c2)c(C)c1Cl

BDBM50468622

Cc1nn(C(=O)c2ccccc2C)c(C)c1Cl

BDBM50468633

Cc1nn(C(=O)c2ccncc2)c(C)c1Cl

BDBM50527649

Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N

BDBM50276789

FC(F)(F)c1[nH]c2c(Br)cccc2c(=O)c1Br

BDBM50276786

FC(F)(F)c1ccc(cc1)-c1cccc2c(Cl)c(Br)c(nc12)C(F)(F)F

BDBM50276784

FC(F)(F)c1nc2c(Br)cccc2c(Cl)c1Br

BDBM50276783

FC(F)(F)c1nc2c(cccc2c(-c2ccccc2)c1-c1ccccc1)-c1ccccc1

BDBM50276794

FC(F)(F)c1nc2c(cccc2c(Cl)c1-c1ccccc1)-c1ccccc1

BDBM50276791

FC(F)(F)c1nc2c(cccc2c(Cl)c1Br)-c1cccc(c1)C#N

BDBM50276782

FC(F)(F)c1nc2c(cccc2c(Cl)c1Br)-c1ccsc1

BDBM50276785

Fc1ccc(cc1)-c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(nc12)C(F)(F)F

BDBM50227019

Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

BDBM50307835

Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

BDBM50029031

Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

BDBM50268725

Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

BDBM50307836

Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc4ccccc4cc3c2)cc1S([O-])(=O)=O

BDBM50378649

Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3ccccc3c2)cc1S([O-])(=O)=O

BDBM50268574

Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O

BDBM50227032

Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O

BDBM50369523

Nc1ncnc2n(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(SC3CCCCCC3)nc12 |r|

BDBM18136

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM50552128

OS(=O)(=O)C1=CC\C(=N/C(=O)C2=C\C(C=CC2)=N\C(=O)C2=CC=C\C(C2)=N/C(=O)/N=C2/CC(=CC=C2)C(=O)\N=C2\CC(=CC=C2)C(=O)\N=C2/CC=C(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c2c1cc(cc2S(O)(=O)=O)S(O)(=O)=O |c:14,23,34,36,44,46,54,t:4,11,21|

BDBM50561221

O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r|

BDBM50241052

Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM4078

Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O

BDBM23207

[H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C

BDBM50187685

[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cc3ccccc3c3ccccc23)cc1S([O-])(=O)=O

BDBM50552129

[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1c(cc(-[#7]-c2ccc(-[#7]-c3nc(Cl)nc(-[#7]-c4ccc(c(c4)S([#8-])(=O)=O)S([#8-])(=O)=O)n3)c(c2)S([#8-])(=O)=O)c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O