 | | WK2 | | Name: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine | | Formula: | C20 H21 N3 O | | SMILES: | Nc1nc2cc(ccc2c(C)c1)c1ccc2OCCN(C)Cc2c1 | | InChi: | InChI=1S/C20H21N3O/c1-13-9-20(21)22-18-11-15(3-5-17(13)18)14-4-6-19-16(10-14)12-23(2)7-8-24-19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,21,22) | | Definition date: | 2023-10-05 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine |
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 | | VB0 | | Name: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine | | Formula: | C15 H13 F N4 | | SMILES: | Nc1nc(N)c(C#CC2CC2)c(n1)c3ccccc3F | | InChi: | InChI=1S/C15H13FN4/c16-12-4-2-1-3-10(12)13-11(8-7-9-5-6-9)14(17)20-15(18)19-13/h1-4,9H,5-6H2,(H4,17,18,19,20) | | Definition date: | 2023-03-01 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine |
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 | | OIZ | | Name: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol | | Formula: | C6 H9 Cl O3 | | SMILES: | O[CH]1C=C[CH](Cl)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H9ClO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1 | | Synonyms: | L-carbaxylosyl chloride | | Definition date: | 2022-09-08 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol |
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 | | MIQ | | Name: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione | | Formula: | C17 H17 N3 O5 | | SMILES: | O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=O)N1CCOCC1 | | InChi: | InChI=1S/C17H17N3O5/c21-14-4-3-13(15(22)18-14)20-16(23)11-2-1-10(9-12(11)17(20)24)19-5-7-25-8-6-19/h1-2,9,13H,3-8H2,(H,18,21,22)/t13-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione |
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 | | VFU | | Name: | 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine | | Formula: | C16 H15 F3 N4 | | SMILES: | Nc1nc(N)c(C=CC2CC2)c(n1)c3ccc(cc3)C(F)(F)F | | InChi: | InChI=1S/C16H15F3N4/c17-16(18,19)11-6-4-10(5-7-11)13-12(8-3-9-1-2-9)14(20)23-15(21)22-13/h3-9H,1-2H2,(H4,20,21,22,23)/b8-3+ | | Definition date: | 2023-03-06 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine |
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 | | VH6 | | Name: | Plerixafor | | Formula: | C28 H54 N8 | | SMILES: | C1NCCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNC1 | | InChi: | InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 | | Synonyms: | 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) | | Definition date: | 2023-09-12 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) |
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 | | 9YP | | Name: | {[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid | | Formula: | C12 H21 N5 O9 P2 | | SMILES: | O=P(O)(O)CCOCC(COCP(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O | | InChi: | InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-6-17(10)3-8(5-26-7-28(22,23)24)4-25-1-2-27(19,20)21/h6,8H,1-5,7H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/t8-/m1/s1 | | Definition date: | 2017-06-27 | | Last modified: | 2024-03-02 | | Release date: | 2017-08-30 | | Identifier: | {[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid |
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 | | YIJ | | Name: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate | | Formula: | C31 H39 N O6 | | SMILES: | CC(OC(=O)c1ccccc1)C1=CCC23OCCN(C)CC13CC(O)C13OC4(O)CC(CC=C12)C3(C)CC4 | | InChi: | InChI=1S/C31H39NO6/c1-20(37-26(34)21-7-5-4-6-8-21)23-11-12-30-24-10-9-22-17-29(35)14-13-27(22,2)31(24,38-29)25(33)18-28(23,30)19-32(3)15-16-36-30/h4-8,10-11,20,22,25,33,35H,9,12-19H2,1-3H3/t20-,22-,25-,27+,28+,29-,30+,31+/m1/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate |
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 | | Y59 | | Name: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one | | Formula: | C22 H24 N7 O | | SMILES: | Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5 | | InChi: | InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30) | | Definition date: | 2023-11-21 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one |
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 | | XS8 | | Name: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine | | Formula: | C9 H10 F N O | | SMILES: | N[CH]1CCOc2ccc(F)cc12 | | InChi: | InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1 | | Definition date: | 2023-11-09 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine |
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 | | YWQ | | Name: | uridine 5'-heptaphosphate | | Formula: | C9 H19 N2 O27 P7 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O | | InChi: | InChI=1S/C9H19N2O27P7/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(32-8)3-31-40(19,20)34-42(23,24)36-44(27,28)38-45(29,30)37-43(25,26)35-41(21,22)33-39(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,10,12,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1 | | Definition date: | 2023-03-02 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 1-{5-O-[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-beta-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione |
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 | | X1Q | | Name: | ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | | Formula: | C19 H21 N5 | | SMILES: | CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3 | | InChi: | InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+ | | Definition date: | 2023-05-30 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine |
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 | | XG7 | | Name: | 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide | | Formula: | C18 H18 N4 O2 | | SMILES: | CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3 | | InChi: | InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23) | | Synonyms: | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | | Definition date: | 2023-11-01 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-azanyl-~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide |
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 | | YMC | | Name: | 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol | | Formula: | C19 H14 N2 O3 | | SMILES: | Oc1cccc(c1)c2ccc(Nc3cccc4onc(O)c34)cc2 | | InChi: | InChI=1S/C19H14N2O3/c22-15-4-1-3-13(11-15)12-7-9-14(10-8-12)20-16-5-2-6-17-18(16)19(23)21-24-17/h1-11,20,22H,(H,21,23) | | Synonyms: | 4-[(3'-hydroxy[1,1'-biphenyl]-4-yl)amino]-1,2-benzoxazol-3-ol | | Definition date: | 2023-12-05 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol |
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 | | Y9Q | | Name: | 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid | | Formula: | C25 H29 N3 O3 | | SMILES: | CC(C)N(CCCCOCC(O)=O)c1cnc(c2ccccc2)c(n1)c3ccccc3 | | InChi: | InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30) | | Definition date: | 2023-11-28 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid |
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 | | VTX | | Name: | Vortioxetine | | Formula: | C18 H22 N2 S | | SMILES: | Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1 | | InChi: | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 | | Synonyms: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine | | Definition date: | 2022-07-27 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
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 | | A1ACS | | Name: | N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea | | Formula: | C25 H34 N4 O | | SMILES: | CC(c1ccncc1)N1CCC(NC(=O)NC2CCCC2Cc2ccccc2)CC1 | | InChi: | InChI=1S/C25H34N4O/c1-19(21-10-14-26-15-11-21)29-16-12-23(13-17-29)27-25(30)28-24-9-5-8-22(24)18-20-6-3-2-4-7-20/h2-4,6-7,10-11,14-15,19,22-24H,5,8-9,12-13,16-18H2,1H3,(H2,27,28,30)/t19-,22+,24-/m0/s1 | | Definition date: | 2024-01-16 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea |
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 | | O66 | | Name: | 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid | | Formula: | C6 H8 N2 O3 | | SMILES: | OC(=O)CC[CH]1N=CNC1=O | | InChi: | InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)/t4-/m1/s1 | | Synonyms: | Imidazol-4-one-5-propionic acid | | Definition date: | 2023-08-22 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid |
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 | | YB3 | | Name: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline | | Formula: | C21 H21 F N6 | | SMILES: | CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4 | | InChi: | InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline |
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 | | ZR0 | | Name: | 4-bromobenzene-1,3-dicarboxylic acid | | Formula: | C8 H5 Br O4 | | SMILES: | OC(=O)c1cc(ccc1Br)C(=O)O | | InChi: | InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 4-bromobenzene-1,3-dicarboxylic acid |
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 | | ZR3 | | Name: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid | | Formula: | C10 H9 Cl N2 O3 | | SMILES: | O=C(O)c1cc(ccc1Cl)N1CCNC1=O | | InChi: | InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid |
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 | | ZR6 | | Name: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)c1cccc(c1C)N1CCNC1=O | | InChi: | InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
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 | | ZR9 | | Name: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid | | Formula: | C9 H6 N2 O4 | | SMILES: | O=C(O)c1ccc2NC(=O)NC(=O)c2c1 | | InChi: | InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
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 | | ZRE | | Name: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid | | Formula: | C10 H8 F N O3 | | SMILES: | O=C(O)c1cc2CCC(=O)Nc2cc1F | | InChi: | InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid |
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 | | ZRI | | Name: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid | | Formula: | C9 H9 N O2 | | SMILES: | O=C(O)C1CC1c1ccccn1 | | InChi: | InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid |
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