SMILES for Sodium/potassium-transporting ATPase subunit alpha-1

50 SMILES Strings for Sodium/potassium-transporting ATPase subunit alpha-1

Compound Name

SMILES String

Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

BDBM50605867

C[C@]12CC/C(=N\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C

BDBM754080

C[C@]12CCC(=NOCC(=O)O)CC1[C@H](O)CC1C2CC[C@]2(C)C(=O)CCC12

BDBM754081

C[C@]12CCC(=NOCCN)CC1[C@H](O)CC1C2CC[C@]2(C)C(=O)CCC12

BDBM754082

C[C@]12CCC(=NOCC(=O)O)CC1C(=O)CC1C2CC[C@]2(C)C(=O)CCC12

BDBM50161245

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O)O[C@@H]3C[C@@]4(COC(C)=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:39|

BDBM50161253

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(COC(C)=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO[Si](C)(C)C)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:47|

BDBM50161252

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO[Si](C)(C)C)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:44|

BDBM50161262

C[C@@H]1C[C@@]2(NC(=O)CS2)C2(O)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |t:36|

BDBM50161268

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:44|

BDBM50161244

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO[Si](C)(C)C)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:44|

BDBM50161246

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O)O[C@@H]3C[C@@]4(COC(=O)c5ccccc5)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:45|

BDBM50161249

C[C@@H]1C[C@]2(SCC(N)=N2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:35|

BDBM50161272

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO[Si](C)(C)C)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:48|

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM46356

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O

BDBM50408111

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CC[N+]([O-])=O)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408112

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)\C=C\[N+]([O-])=O)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408113

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5CC[C@]43OC5)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408114

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCC(O)=O)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408115

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCO)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408116

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)\C=C\C(O)=O)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408117

COC(C[N+]([O-])=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|

BDBM50408118

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C(O)CN)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408119

CC1OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CCN)CC[C@]43O)C2)C(O)C(O)C1O |r|

BDBM50408120

C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CC[C@]43O)C(O)C[N+]([O-])=O)C2)[C@H](O)[C@H](O)[C@H]1O |r|

BDBM50408281

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=CC=NNC1=NCCN1 |w:24.28,22.26,t:30|

BDBM66977

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25|

BDBM50408275

[#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |r,w:22.26|

BDBM50408276

[#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:24.28,22.26|

BDBM50408277

[#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]=[#6]-[#6]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:26.30,22.26,24.28|

BDBM50408278

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=NNC1=NCCN1 |w:22.26,t:28|

BDBM50408279

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C1=CC(=O)OC1 |t:27|

BDBM50408280

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=NNC1=NCCCN1 |w:22.26,t:28|

BDBM50408282

[#6][C@]12[#6]-[#6]-[#6@H]3-[#6@@H](-[#6]-[#6]-[#6@@H]4-[#6]-[#6@@H](-[#8])-[#6]-[#6][C@]34[#6])[C@@]1([#8])[#6]-[#6]-[#6@@H]2-[#6]-[#7]\[#7]=[#6](\[#7])-[#7] |r|

BDBM50408914

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCC=O

BDBM50408915

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C=O

BDBM50408916

C\C(C=O)=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50408917

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCCCCCCN

BDBM50408918

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CN=O

BDBM50408439

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=O

BDBM50408920

CN(C)CCO\N=C\C=C\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50408921

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=C\CCCN

BDBM50096254

[H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)O\C2=C/c2ccc(OC)cc2)C1 |r,t:60|

CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C