 | | 3I4 | | Name: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide | | Formula: | C12 H18 N4 O6 S | | SMILES: | NC(=O)[CH](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O | | InChi: | InChI=1S/C12H18N4O6S/c13-12(19)10(6-17)16-11(18)5-15-22-7-8-1-3-9(4-2-8)23(14,20)21/h1-4,10,15,17H,5-7H2,(H2,13,19)(H,16,18)(H2,14,20,21)/t10-/m0/s1 | | Definition date: | 2021-06-25 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{S})-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide |
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 | | R90 | | Name: | ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide | | Formula: | C16 H18 N8 O S2 | | SMILES: | Nc1sc(nn1)N2CC[CH](C2)Nc3sc(NC(=O)Cc4ccccc4)nn3 | | InChi: | InChI=1S/C16H18N8OS2/c17-13-20-23-16(26-13)24-7-6-11(9-24)18-14-21-22-15(27-14)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1 | | Definition date: | 2022-11-28 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide |
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 | | N4X | | Name: | 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide | | Formula: | C18 H21 N3 O | | SMILES: | CC1(C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3 | | InChi: | InChI=1S/C18H21N3O/c1-18(2)13-20(17(19)22)15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,19,22) | | Definition date: | 2023-01-11 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide |
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 | | O89 | | Name: | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline | | Formula: | C18 H20 N3 S | | SMILES: | CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n+]2C | | InChi: | InChI=1S/C18H20N3S/c1-13-5-10-16-17(11-13)22-18(21(16)4)19-12-14-6-8-15(9-7-14)20(2)3/h5-12H,1-4H3/q+1 | | Definition date: | 2022-08-30 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline |
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 | | MVS | | Name: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile | | Formula: | C19 H17 N3 O3 | | SMILES: | COc1cc(cc(OC)c1OC)Nc1ccnc2cc(ccc12)C#N | | InChi: | InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22) | | Definition date: | 2022-03-21 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile |
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 | | SIV | | Name: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) | | Formula: | C6 H8 O7 | | SMILES: | OC1COC2(O)C1OC(=O)C2(O)O | | InChi: | InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1 | | Definition date: | 2022-07-05 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) |
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 | | PQU | | Name: | (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione | | Formula: | C21 H17 N3 O4 | | SMILES: | CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1 | | InChi: | InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1 | | Definition date: | 2021-12-22 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione |
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 | | EX9 | | Name: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide | | Formula: | C27 H33 F N6 O2 S | | SMILES: | CN(C)CCC[S](=O)(=O)N[CH]1CC[CH](CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C27H33FN6O2S/c1-33(2)16-3-17-37(35,36)32-21-8-10-22(11-9-21)34-18-31-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27-24(23)13-15-30-27/h4-7,12-15,18,21-22,32H,3,8-11,16-17H2,1-2H3,(H,29,30)/t21-,22+ | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide |
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 | | EYI | | Name: | 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine | | Formula: | C22 H21 F N4 | | SMILES: | Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25) | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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 | | EZQ | | Name: | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine | | Formula: | C22 H16 F N5 | | SMILES: | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 | | InChi: | InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26) | | Definition date: | 2022-01-17 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
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 | | 9IZ | | Name: | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine | | Formula: | C23 H21 N5 | | SMILES: | C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4 | | InChi: | InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2 | | Definition date: | 2022-01-18 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine |
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 | | TKR | | Name: | [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate | | Formula: | C14 H21 N5 O6 S | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)CN2CC(COC(O)=O)NN2)cc1 | | InChi: | InChI=1S/C14H21N5O6S/c15-26(23,24)12-3-1-10(2-4-12)5-6-16-13(20)8-19-7-11(17-18-19)9-25-14(21)22/h1-4,11,17-18H,5-9H2,(H,16,20)(H,21,22)(H2,15,23,24) | | Definition date: | 2023-01-10 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate |
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 | | CXI | | Name: | 2-(3-phenyloxetan-3-yl)ethanamine | | Formula: | C11 H15 N O | | SMILES: | NCCC1(COC1)c2ccccc2 | | InChi: | InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2 | | Definition date: | 2022-04-06 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 2-(3-phenyloxetan-3-yl)ethanamine |
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 | | D0I | | Name: | [(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol | | Formula: | C18 H21 N O | | SMILES: | OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3 | | InChi: | InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1 | | Definition date: | 2022-04-06 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | [(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol |
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 | | O6O | | Name: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one | | Formula: | C21 H19 N O5 | | SMILES: | O=C1C=C(Oc2c(cccc21)c1ccc2OCCOc2c1)N1CCOCC1 | | InChi: | InChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2 | | Definition date: | 2022-04-26 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one |
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 | | P8O | | Name: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine | | Formula: | C24 H22 F3 N7 S | | SMILES: | N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F)F)cnc5n4 | | InChi: | InChI=1S/C24H22F3N7S/c25-24(26,27)19-16(6-3-9-29-19)35-17-13-30-20-21(31-17)33-22(32-20)34-10-7-23(8-11-34)12-14-4-1-2-5-15(14)18(23)28/h1-6,9,13,18H,7-8,10-12,28H2,(H,30,31,32,33)/t18-/m1/s1 | | Definition date: | 2022-10-03 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine |
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 | | JHO | | Name: | (2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol | | Formula: | C18 H20 N6 O | | SMILES: | CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12 | | InChi: | InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1 | | Definition date: | 2022-08-11 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol |
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 | | JLX | | Name: | N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Formula: | C16 H13 F3 N6 | | SMILES: | FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12 | | InChi: | InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24) | | Definition date: | 2022-08-22 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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 | | E6H | | Name: | 3-methylbenzoselenoate | | Formula: | C8 H8 O Se | | SMILES: | Cc1cccc(c1)C([SeH])=O | | InChi: | InChI=1S/C8H8OSe/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) | | Definition date: | 2022-01-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 3-methylbenzenecarboselenoic Se-acid |
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 | | E7I | | Name: | benzoselenoate | | Formula: | C7 H6 O Se | | SMILES: | [SeH]C(=O)c1ccccc1 | | InChi: | InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | | Definition date: | 2022-01-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | benzenecarboselenoic Se-acid |
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 | | S5N | | Name: | N-((1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)methyl)benzenesulfonamide | | Formula: | C18 H18 N2 O3 S | | SMILES: | CN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 | | InChi: | InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-14(11-16(13)17)12-19-24(22,23)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3 | | Synonyms: | ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide | | Definition date: | 2020-11-08 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
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 | | WNQ | | Name: | 4-(4-methylpiperazine-1-sulfonyl)benzamide | | Formula: | C12 H17 N3 O3 S | | SMILES: | CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O | | InChi: | InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16) | | Definition date: | 2022-10-04 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | 4-(4-methylpiperazine-1-sulfonyl)benzamide |
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 | | X0I | | Name: | (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide | | Formula: | C20 H20 F3 N3 O3 | | SMILES: | O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1 | | InChi: | InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1 | | Definition date: | 2022-10-25 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide |
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 | | X10 | | Name: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide | | Formula: | C22 H18 F3 N3 O3 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO | | InChi: | InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1 | | Definition date: | 2022-10-25 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide |
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 | | X4I | | Name: | N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide | | Formula: | C22 H16 F5 N3 O3 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO | | InChi: | InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1 | | Definition date: | 2022-10-27 | | Last modified: | 2023-01-13 | | Release date: | 2023-01-18 | | Identifier: | N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide |
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