SMILES for Ectonucleoside triphosphate diphosphohydrolase 2

42 SMILES Strings for Ectonucleoside triphosphate diphosphohydrolase 2

Compound Name

SMILES String

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|

BDBM50048062

CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|

BDBM50262312

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

BDBM50262311

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

BDBM50262310

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

BDBM50262249

CCOP(=O)(Cc1ccc(NC(=O)CNC(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)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

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|

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

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

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|

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