 | | 9R4 | | Name: | D-gamma-glutamyl-2-methyl-L-alanine | | Formula: | C9 H16 N2 O5 | | SMILES: | NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O | | InChi: | InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1 | | Definition date: | 2017-06-01 | | Last modified: | 2024-04-30 | | Release date: | 2017-11-15 | | Identifier: | D-gamma-glutamyl-2-methyl-L-alanine |
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 | | LYT | | Name: | BUTYLAMINE | | Formula: | C4 H11 N | | SMILES: | NCCCC | | InChi: | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-04-30 | | Identifier: | butan-1-amine |
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 | | R5P | | Name: | RIBOSE-5-PHOSPHATE | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | | Definition date: | 2001-06-19 | | Last modified: | 2024-04-30 | | Identifier: | 5-O-phosphono-D-ribose |
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 | | 1CC | | Name: | 5-carboxy-2'-deoxycytidine monophosphate | | Formula: | C10 H14 N3 O9 P | | SMILES: | O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N | | InChi: | InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 | | Definition date: | 2011-11-17 | | Last modified: | 2024-04-29 | | Identifier: | 5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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 | | W53 | | Name: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide | | Formula: | C23 H26 N8 O | | SMILES: | NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3 | | InChi: | InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31) | | Definition date: | 2023-09-25 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide |
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 | | Y0B | | Name: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol | | Formula: | C18 H21 N3 O2 | | SMILES: | COc1cccc(CNc2nc3ccccc3n2CCC)c1O | | InChi: | InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20) | | Definition date: | 2023-06-09 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol |
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 | | UTI | | Name: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol | | Formula: | C30 H33 Br F N3 O5 | | SMILES: | COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cccc(OC)c2F)c3cc4cc(Br)ccc4nc3OC | | InChi: | InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1 | | Synonyms: | TBAJ-587 | | Definition date: | 2023-06-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol |
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 | | WOQ | | Name: | Setiptiline | | Formula: | C19 H19 N | | SMILES: | CN1CC2=C(CC1)c1ccccc1Cc1ccccc21 | | InChi: | InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3 | | Synonyms: | [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine | | Definition date: | 2023-10-09 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine |
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 | | UH9 | | Name: | [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | | Formula: | C16 H15 F3 N O5 P | | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2cccc(F)c2 | | InChi: | InChI=1S/C16H15F3NO5P/c17-12-5-3-4-11(8-12)16(18,19)10-20-15(21)9-25-13-6-1-2-7-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) | | Definition date: | 2023-02-03 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
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 | | WRU | | Name: | Mianserin | | Formula: | C18 H20 N2 | | SMILES: | CN1CC2N(CC1)c1ccccc1Cc1ccccc21 | | InChi: | InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine |
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 | | X8L | | Name: | L-gulono-1,4-lactone | | Formula: | C6 H10 O6 | | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 | | Synonyms: | (3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | | Definition date: | 2023-10-25 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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 | | X8X | | Name: | L-galactono-1,4-lactone | | Formula: | C6 H10 O6 | | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1 | | Synonyms: | (3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | | Definition date: | 2023-10-25 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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 | | Y6E | | Name: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile | | Formula: | C25 H23 F N4 O3 S | | SMILES: | O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1 | | InChi: | InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile |
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 | | UKX | | Name: | (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide | | Formula: | C8 H14 N2 O2 | | SMILES: | CC[CH](N1CCCC1=O)C(N)=O | | InChi: | InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1 | | Synonyms: | levetiracetam | | Definition date: | 2023-06-09 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (2~{S})-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide |
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 | | WUX | | Name: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid | | Formula: | C33 H54 O6 | | SMILES: | C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O | | InChi: | InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1 | | Definition date: | 2023-05-22 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid |
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 | | XSL | | Name: | [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | | Formula: | C16 H15 F3 N O5 P | | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F | | InChi: | InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) | | Definition date: | 2023-01-30 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
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 | | ZXJ | | Name: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid | | Formula: | C15 H14 O2 S | | SMILES: | O=C(O)c1cc2CC(C)(C)c3ccccc3c2s1 | | InChi: | InChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17) | | Definition date: | 2023-07-07 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
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 | | VHL | | Name: | Tricarbonyl di(imidazole) rhenium(I) | | Formula: | C9 H6 N4 O3 Re | | SMILES: | [C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2 | | InChi: | InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1 | | Synonyms: | di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+) | | Definition date: | 2023-09-12 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+) |
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 | | ZJT | | Name: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid | | Formula: | C13 H9 F O2 S | | SMILES: | O=C(O)c1cc2CCc3cc(F)ccc3c2s1 | | InChi: | InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16) | | Definition date: | 2023-06-27 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
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 | | VZW | | Name: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid | | Formula: | C24 H23 F N4 O6 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5 | | InChi: | InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35) | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid |
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 | | W0E | | Name: | 3-azanyl-5-methyl-phenol | | Formula: | C7 H9 N O | | SMILES: | Cc1cc(N)cc(O)c1 | | InChi: | InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3 | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 3-azanyl-5-methyl-phenol |
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 | | W0K | | Name: | ~{N}-(2-sulfanylethyl)ethanamide | | Formula: | C4 H9 N O S | | SMILES: | CC(=O)NCCS | | InChi: | InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6) | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | ~{N}-(2-sulfanylethyl)ethanamide |
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 | | W0O | | Name: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C23 H24 N6 O | | SMILES: | CN1CCC(CC1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | | InChi: | InChI=1S/C23H24N6O/c1-28-13-11-17(12-14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H2,24,25,26) | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | VLX | | Name: | (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide | | Formula: | C11 H20 N2 O2 | | SMILES: | CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1 | | InChi: | InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1 | | Definition date: | 2023-07-28 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | (2~{S})-2-[(4~{R})-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide |
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 | | W1O | | Name: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid | | Formula: | C25 H26 F N5 O6 S | | SMILES: | N[S](=O)(=O)c1ccc(CNC(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5)cc1 | | InChi: | InChI=1S/C25H26FN5O6S/c26-20-11-18-21(31(16-3-4-16)14-19(23(18)32)24(33)34)12-22(20)29-7-9-30(10-8-29)25(35)28-13-15-1-5-17(6-2-15)38(27,36)37/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2,(H,28,35)(H,33,34)(H2,27,36,37) | | Definition date: | 2023-04-24 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid |
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