 | | W24 | | Name: | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide | | Formula: | C9 H18 N2 O3 S | | SMILES: | N1(CCCC(C1C)C(NC)=O)S(C)(=O)=O | | InChi: | InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide |
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 | | W27 | | Name: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one | | Formula: | C12 H14 N2 O | | SMILES: | n1cccc2c1CC3CCC2N3C(=O)C | | InChi: | InChI=1S/C12H14N2O/c1-8(15)14-9-4-5-12(14)10-3-2-6-13-11(10)7-9/h2-3,6,9,12H,4-5,7H2,1H3/t9-,12+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one |
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 | | W2A | | Name: | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile | | Formula: | C8 H14 N2 O2 S | | SMILES: | N#CC1CCCN(C1C)S(=O)(C)=O | | InChi: | InChI=1S/C8H14N2O2S/c1-7-8(6-9)4-3-5-10(7)13(2,11)12/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile |
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 | | W2G | | Name: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid | | Formula: | C10 H12 O2 S | | SMILES: | C2C(c1ccsc1)C(C(O)=O)CC2 | | InChi: | InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid |
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 | | W2J | | Name: | [(3R,5R)-5-methylpiperidin-3-yl]methanol | | Formula: | C7 H15 N O | | SMILES: | C1(CC(CO)CNC1)C | | InChi: | InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | [(3R,5R)-5-methylpiperidin-3-yl]methanol |
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 | | W2M | | Name: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | | Formula: | C12 H14 N2 O | | SMILES: | N3C2(Cc1c(cccc1)NC2=O)CCC3 | | InChi: | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
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 | | W2S | | Name: | (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid | | Formula: | C12 H14 O3 | | SMILES: | c1ccc(c(c1)C2C(C(=O)O)COC2)C | | InChi: | InChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10-6-15-7-11(10)12(13)14/h2-5,10-11H,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid |
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 | | W2V | | Name: | (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid | | Formula: | C13 H16 O4 | | SMILES: | c2c(C1CCOCC1C(O)=O)cc(cc2)OC | | InChi: | InChI=1S/C13H16O4/c1-16-10-4-2-3-9(7-10)11-5-6-17-8-12(11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid |
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 | | W2Y | | Name: | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide | | Formula: | C8 H16 N2 O3 S | | SMILES: | NC(C1CCCN(S(C)(=O)=O)C1C)=O | | InChi: | InChI=1S/C8H16N2O3S/c1-6-7(8(9)11)4-3-5-10(6)14(2,12)13/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide |
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 | | W34 | | Name: | (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine | | Formula: | C12 H17 N O2 | | SMILES: | C1(C(N)COCC1)c2cccc(c2)OC | | InChi: | InChI=1S/C12H17NO2/c1-14-10-4-2-3-9(7-10)11-5-6-15-8-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3/t11-,12-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine |
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 | | W3D | | Name: | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid | | Formula: | C7 H6 Br N O3 | | SMILES: | C1=CN(C(C=C1Br)=O)CC(=O)O | | InChi: | InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid |
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 | | X2G | | Name: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C21 H15 F2 N3 O7 S | | SMILES: | [C@H](=CC#N)c1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)F | | InChi: | InChI=1S/C21H15F2N3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | X2J | | Name: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C21 H15 Cl F N3 O7 S | | SMILES: | [C@H](C#N)=Cc1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)Cl | | InChi: | InChI=1S/C21H15ClFN3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | W3M | | Name: | 1H-imidazole-5-carbonitrile | | Formula: | C4 H3 N3 | | SMILES: | n1cncc1C#N | | InChi: | InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1H-imidazole-5-carbonitrile |
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 | | W3V | | Name: | 1-carbamoylpiperidine-4-carboxylic acid | | Formula: | C7 H12 N2 O3 | | SMILES: | N1(CCC(CC1)C(O)=O)C(N)=O | | InChi: | InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-carbamoylpiperidine-4-carboxylic acid |
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 | | X2S | | Name: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C19 H13 Cl F N3 O7 S | | SMILES: | N#Cc3cc(Oc1c(cc(cc1)OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)cc(c3)Cl | | InChi: | InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-16-2-1-14(31-32(21,27)28)10-17(16)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26) | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | W3Y | | Name: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione | | Formula: | C10 H9 Cl N2 O2 | | SMILES: | N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O | | InChi: | InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione |
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 | | X2V | | Name: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C23 H16 F N3 O7 S | | SMILES: | c4(C#N)ccc1c(cccc1Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)OS(F)(=O)=O)c4 | | InChi: | InChI=1S/C23H16FN3O7S/c24-35(30,31)34-17-5-7-20(21(13-17)32-11-10-27-9-8-22(28)26-23(27)29)33-19-3-1-2-16-12-15(14-25)4-6-18(16)19/h1-9,12-13H,10-11H2,(H,26,28,29) | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | W44 | | Name: | (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol | | Formula: | C15 H18 N2 O | | SMILES: | N3C4Cc2c1c(cccc1)n(c2C(C(C3)O)C4)C | | InChi: | InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol |
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 | | VOJ | | Name: | 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine | | Formula: | C20 H19 F N6 O | | SMILES: | n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N | | InChi: | InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine |
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 | | VOM | | Name: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide | | Formula: | C21 H18 F N5 O2 | | SMILES: | c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C | | InChi: | InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide |
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 | | VOP | | Name: | [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid | | Formula: | C23 H19 F N6 O3 | | SMILES: | c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N | | InChi: | InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid |
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 | | UTM | | Name: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline | | Formula: | C36 H35 N5 O | | SMILES: | N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)ccnc4)c5cnc6c5cncc6)CCN(C)CC7 | | InChi: | InChI=1S/C36H35N5O/c1-40-16-18-41(19-17-40)25-27-7-10-31(33-24-39-35-12-15-38-23-34(33)35)36(21-27)42-20-13-26-5-8-29(9-6-26)30-4-2-3-28-11-14-37-22-32(28)30/h2-12,14-15,21-24,39H,13,16-20,25H2,1H3 | | Definition date: | 2020-06-02 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline |
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 | | UTS | | Name: | 1-benzyl-1H-benzimidazole | | Formula: | C14 H12 N2 | | SMILES: | c1ccc(cc1)Cn3cnc2ccccc23 | | InChi: | InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2 | | Definition date: | 2020-06-02 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-benzyl-1H-benzimidazole |
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 | | UTV | | Name: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one | | Formula: | C18 H17 F2 N O2 | | SMILES: | c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F | | InChi: | InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3 | | Definition date: | 2020-06-02 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one |
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