 | | PCS | | Name: | PHENYLALANYLMETHYLCHLORIDE | | Formula: | C10 H12 Cl N O | | SMILES: | ClCC(=O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1 | | Definition date: | 2000-04-05 | | Last modified: | 2024-11-25 | | Identifier: | (3S)-3-amino-1-chloro-4-phenylbutan-2-one |
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 | | ZKI | | Name: | 6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine | | Formula: | C17 H14 Cl2 N4 O | | SMILES: | Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CCOC1 | | InChi: | InChI=1S/C17H14Cl2N4O/c18-14-7-12-13(8-15(14)19)17(21-11-3-6-24-9-11)23-22-16(12)10-1-4-20-5-2-10/h1-2,4-5,7-8,11H,3,6,9H2,(H,21,23)/t11-/m1/s1 | | Definition date: | 2023-06-27 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine |
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 | | Y6K | | Name: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate | | Formula: | C16 H22 O5 | | SMILES: | COC(=O)[C]12C[CH](C(=C)C1)C(=O)[CH](C2)C(=O)OC(C)(C)C | | InChi: | InChI=1S/C16H22O5/c1-9-6-16(14(19)20-5)7-10(9)12(17)11(8-16)13(18)21-15(2,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,16+/m1/s1 | | Definition date: | 2023-11-23 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate |
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 | | YKW | | Name: | ~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine | | Formula: | C18 H20 Cl N7 | | SMILES: | CCN1CCN(CC1)c2nc(Nc3ccc(Cl)cc3)c4nccnc4n2 | | InChi: | InChI=1S/C18H20ClN7/c1-2-25-9-11-26(12-10-25)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H,21,22,23,24) | | Definition date: | 2023-12-05 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | ~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine |
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 | | Y7U | | Name: | 2',2'-Difluorodeoxyuridine | | Formula: | C9 H10 F2 N2 O5 | | SMILES: | OC[CH]1O[CH](N2C=CC(=O)NC2=O)C(F)(F)[CH]1O | | InChi: | InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17) | | Synonyms: | 1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione | | Definition date: | 2023-11-27 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione |
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 | | Y8F | | Name: | [(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate | | Formula: | C28 H55 O8 P | | SMILES: | CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC)CO[P](O)(O)=O | | InChi: | InChI=1S/C28H55O8P/c1-3-5-7-9-11-13-15-17-19-21-23-28(30)36-26(25-35-37(31,32)33)24-34-27(29)22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m0/s1 | | Definition date: | 2023-11-27 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | [(2~{S})-1-dodecanoyloxy-3-phosphonooxy-propan-2-yl] tridecanoate |
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 | | YLW | | Name: | 2,5-bis(fluoranyl)pyridine-3-carbonitrile | | Formula: | C6 H2 F2 N2 | | SMILES: | Fc1cnc(F)c(c1)C#N | | InChi: | InChI=1S/C6H2F2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H | | Definition date: | 2023-12-05 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 2,5-bis(fluoranyl)pyridine-3-carbonitrile |
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 | | YM0 | | Name: | 3-azanylpyrazine-2,6-dicarbonitrile | | Formula: | C6 H3 N5 | | SMILES: | Nc1ncc(nc1C#N)C#N | | InChi: | InChI=1S/C6H3N5/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,(H2,9,10) | | Definition date: | 2023-12-05 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 3-azanylpyrazine-2,6-dicarbonitrile |
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 | | XGX | | Name: | (1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid | | Formula: | C28 H28 N4 O4 | | SMILES: | O=C(Nc1ccc(cc1)C(=N)N)c1cc(C=C)ccc1c1ccc(cc1C(=O)O)C(=O)NCC(C)C | | InChi: | InChI=1S/C28H28N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h4-14,16H,1,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36) | | Synonyms: | BCX2627 | | Definition date: | 2023-11-02 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1P)-2'-[(4-carbamimidoylphenyl)carbamoyl]-4'-ethenyl-4-[(2-methylpropyl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid |
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 | | YAL | | Name: | (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid | | Formula: | C28 H37 Cl N2 O4 | | SMILES: | Cc1ccc(NC(=O)C[CH](CCC(O)=O)c2noc([CH]3C[CH](C3)CC(C)(C)C)c2C4CC4)c(Cl)c1 | | InChi: | InChI=1S/C28H37ClN2O4/c1-16-5-9-22(21(29)11-16)30-23(32)14-19(8-10-24(33)34)26-25(18-6-7-18)27(35-31-26)20-12-17(13-20)15-28(2,3)4/h5,9,11,17-20H,6-8,10,12-15H2,1-4H3,(H,30,32)(H,33,34)/t17-,19-,20+/m0/s1 | | Definition date: | 2023-11-28 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid |
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 | | YFM | | Name: | 7-[[2,6-bis(oxidanylidene)cyclohexylidene]-oxidanyl-methyl]-1,6-dimethyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione | | Formula: | C26 H23 F3 N2 O6 | | SMILES: | CN1C(=O)CN(Cc2ccc(OC(F)(F)F)cc2)C(=O)c3c(C)c(ccc13)[C](O)=[C]4C(=O)C[CH2]CC4=O | | InChi: | InChI=1S/C26H23F3N2O6/c1-14-17(24(35)23-19(32)4-3-5-20(23)33)10-11-18-22(14)25(36)31(13-21(34)30(18)2)12-15-6-8-16(9-7-15)37-26(27,28)29/h6-11,35H,3-5,12-13H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 7-[[2,6-bis(oxidanylidene)cyclohexylidene]-oxidanyl-methyl]-1,6-dimethyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione |
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 | | LGO | | Name: | 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide | | Formula: | C22 H20 N6 O5 S2 | | SMILES: | NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cnn(c2ccc(cc2)S(N)(=O)=O)c1c1ccccc1 | | InChi: | InChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29) | | Definition date: | 2023-08-15 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide |
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 | | XBI | | Name: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione | | Formula: | C21 H33 N O4 | | SMILES: | C[CH]1CC(C)(C)[CH]2C[CH](O)C(=C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)[C]2(C)C1 | | InChi: | InChI=1S/C21H33NO4/c1-11-9-20(3,4)17-8-15(23)12(2)14(21(17,5)10-11)7-16(24)13-6-18(25)22-19(13)26/h11,13-17,23-24H,2,6-10H2,1,3-5H3,(H,22,25,26)/t11-,13+,14-,15-,16-,17-,21+/m0/s1 | | Definition date: | 2023-06-06 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
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 | | Y3H | | Name: | ~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Formula: | C16 H22 O5 | | SMILES: | CC(C)(C)OC(=O)[CH]1C[C](C)(CCC1=O)C(=O)OCC#C | | InChi: | InChI=1S/C16H22O5/c1-6-9-20-14(19)16(5)8-7-12(17)11(10-16)13(18)21-15(2,3)4/h1,11H,7-10H2,2-5H3/t11-,16-/m0/s1 | | Definition date: | 2023-11-16 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | ~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
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 | | W2Z | | Name: | (1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol | | Formula: | C21 H27 N3 O3 S | | SMILES: | CCS(=O)(=O)N1CCC2(CCC(C2O)C2c3ccccc3c3cncn32)CC1 | | InChi: | InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-14,17,19-20,25H,2,7-12H2,1H3/t17-,19+,20+/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol |
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 | | WA6 | | Name: | (2S)-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid | | Formula: | C11 H14 N O5 P | | SMILES: | N[C](C1CC1)(C(O)=O)c2ccc(cc2)[P](O)(O)=O | | InChi: | InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)/t11-/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (2~{S})-2-azanyl-2-cyclopropyl-2-(4-phosphonophenyl)ethanoic acid |
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 | | WAG | | Name: | (1S,2R)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid | | Formula: | C20 H19 N O5 | | SMILES: | N[C](C[CH]1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O | | InChi: | InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15+,20-/m0/s1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1~{S},2~{R})-2-[(2~{S})-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9~{H}-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid |
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 | | A1BDA | | Name: | 5-chloro-2,3-dihydro-1H-inden-1-one | | Formula: | C9 H7 Cl O | | SMILES: | Clc1ccc2C(=O)CCc2c1 | | InChi: | InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2 | | Synonyms: | 5-chloro-1-indanone | | Definition date: | 2024-10-14 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 5-chloro-2,3-dihydro-1H-inden-1-one |
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 | | A1BDB | | Name: | (3S)-piperidine-3-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCNC1 | | InChi: | InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 | | Definition date: | 2024-10-14 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (3S)-piperidine-3-carboxylic acid |
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 | | A1BDU | | Name: | (1H-indol-5-yl)methanol | | Formula: | C9 H9 N O | | SMILES: | OCc1cc2cc[NH]c2cc1 | | InChi: | InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2 | | Definition date: | 2024-10-18 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1H-indol-5-yl)methanol |
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 | | A1BDV | | Name: | (2H-1,3-benzodioxol-5-yl)methanol | | Formula: | C8 H8 O3 | | SMILES: | OCc1ccc2OCOc2c1 | | InChi: | InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2 | | Synonyms: | piperonyl alcohol | | Definition date: | 2024-10-18 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (2H-1,3-benzodioxol-5-yl)methanol |
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 | | A1BDW | | Name: | (1,4-phenylene)dimethanol | | Formula: | C8 H10 O2 | | SMILES: | OCc1ccc(CO)cc1 | | InChi: | InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2 | | Definition date: | 2024-10-18 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1,4-phenylene)dimethanol |
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 | | A1BDX | | Name: | (1-benzofuran-5-yl)methanol | | Formula: | C9 H8 O2 | | SMILES: | OCc1cc2ccoc2cc1 | | InChi: | InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2 | | Definition date: | 2024-10-18 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | (1-benzofuran-5-yl)methanol |
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 | | A1BFA | | Name: | 4-acetylpiperazine-1-carboxamide | | Formula: | C7 H13 N3 O2 | | SMILES: | O=C(N)N1CCN(CC1)C(C)=O | | InChi: | InChI=1S/C7H13N3O2/c1-6(11)9-2-4-10(5-3-9)7(8)12/h2-5H2,1H3,(H2,8,12) | | Definition date: | 2024-11-04 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 4-acetylpiperazine-1-carboxamide |
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 | | A1BFB | | Name: | 2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate | | Formula: | C14 H14 O4 | | SMILES: | CC(=O)Oc1ccc2c(c1)OC(=O)C=C2CCC | | InChi: | InChI=1S/C14H14O4/c1-3-4-10-7-14(16)18-13-8-11(17-9(2)15)5-6-12(10)13/h5-8H,3-4H2,1-2H3 | | Definition date: | 2024-11-04 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate |
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