 | | T7B | | Name: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | | Formula: | C11 H10 N2 O2 | | SMILES: | O=C1NC(=O)NC21CCc1ccccc12 | | InChi: | InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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 | | T7L | | Name: | 2-phenyl-1,3-thiazole-5-carboxylic acid | | Formula: | C10 H7 N O2 S | | SMILES: | O=C(O)c1cnc(s1)c1ccccc1 | | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-phenyl-1,3-thiazole-5-carboxylic acid |
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 | | T89 | | Name: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone | | Formula: | C13 H17 N O2 | | SMILES: | O=C(c1ccccc1)N1CCC(CO)CC1 | | InChi: | InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
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 | | T9F | | Name: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine | | Formula: | C12 H15 N O | | SMILES: | COc1ccc(cc1)C1=CCNCC1 | | InChi: | InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
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 | | TE0 | | Name: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid | | Formula: | C8 H15 N O4 S | | SMILES: | O=S(=O)(CC)N1CCC(CC1)C(=O)O | | InChi: | InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid |
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 | | TJ0 | | Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one | | Formula: | C12 H11 F3 N2 O2 | | SMILES: | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F | | InChi: | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
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 | | TKI | | Name: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid | | Formula: | C10 H16 N4 O2 | | SMILES: | CCc1nc(CC)nc(n1)N(C)CC(O)=O | | InChi: | InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16) | | Synonyms: | 2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor) | | Definition date: | 2023-01-06 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid |
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 | | TKM | | Name: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid | | Formula: | C9 H12 N2 O3 | | SMILES: | O=C(O)c1ccnn1C1CCOCC1 | | InChi: | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid |
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 | | TM0 | | Name: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine | | Formula: | C11 H13 N3 O | | SMILES: | CC(N)c1nc(Cc2ccccc2)no1 | | InChi: | InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
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 | | TNU | | Name: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine | | Formula: | C9 H15 N3 O S | | SMILES: | Cc1nc(sn1)N1CCOC(C)C1C | | InChi: | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | | TQC | | Name: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole | | Formula: | C10 H12 N4 O | | SMILES: | Cn1ccnc1c1nc(on1)C1CCC1 | | InChi: | InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
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 | | E7J | | Name: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid | | Formula: | C12 H14 O5 | | SMILES: | OCCCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) | | Definition date: | 2023-06-14 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
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 | | EMX | | Name: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid | | Formula: | C20 H18 O8 | | SMILES: | OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O | | InChi: | InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24) | | Synonyms: | 4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid | | Definition date: | 2023-06-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid |
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 | | FI6 | | Name: | N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide | | Formula: | C32 H28 F3 N5 O4 | | SMILES: | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5 | | InChi: | InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1 | | Synonyms: | (+/-)-AMG 487 | | Definition date: | 2023-07-20 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide |
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 | | 4IE | | Name: | [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium | | Formula: | C25 H31 Br N | | SMILES: | CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)[CH]1C2 | | InChi: | InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1 | | Synonyms: | VUF11222 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(2-bromophenyl)phenyl]methyl-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium |
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 | | UIW | | Name: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide | | Formula: | C21 H18 Br F N4 O2 | | SMILES: | Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC | | InChi: | InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29) | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide |
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 | | W9X | | Name: | [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone | | Formula: | C23 H25 N7 O2 | | SMILES: | Cc1ccc(O)c(C)c1n2c(N)c(C(=O)N3CCn4nccc4C3)c5nc(C)c(C)nc25 | | InChi: | InChI=1S/C23H25N7O2/c1-12-5-6-17(31)13(2)20(12)30-21(24)18(19-22(30)27-15(4)14(3)26-19)23(32)28-9-10-29-16(11-28)7-8-25-29/h5-8,31H,9-11,24H2,1-4H3 | | Definition date: | 2023-09-29 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone |
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 | | VSN | | Name: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine | | Formula: | C10 H15 N5 O10 P2 S | | SMILES: | OP(O)(=S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O | | InChi: | InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2023-09-16 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine |
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 | | UJC | | Name: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide | | Formula: | C25 H19 F4 N3 O3 | | SMILES: | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1ccccc1C)C(=O)NC | | InChi: | InChI=1S/C25H19F4N3O3/c1-12-5-3-4-6-17(12)21-20-18(24(35)32-21)9-14(22(33)30-2)10-19(20)31-23(34)13-7-15(25(27,28)29)11-16(26)8-13/h3-11,21H,1-2H3,(H,30,33)(H,31,34)(H,32,35)/t21-/m0/s1 | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide |
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 | | WSB | | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine | | Formula: | C10 H17 N2 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O | | InChi: | InChI=1S/C10H17N2O14P3/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H,11,13,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine |
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 | | WT3 | | Name: | 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide | | Formula: | C20 H20 F N5 O3 S | | SMILES: | COc1cc(ccc1F)c2cnc3Nc4cccc(c4)[S](=O)(=O)NCCCNc2n3 | | InChi: | InChI=1S/C20H20FN5O3S/c1-29-18-10-13(6-7-17(18)21)16-12-23-20-25-14-4-2-5-15(11-14)30(27,28)24-9-3-8-22-19(16)26-20/h2,4-7,10-12,24H,3,8-9H2,1H3,(H2,22,23,25,26) | | Definition date: | 2023-10-11 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide |
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 | | WUH | | Name: | Thymine dimer | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | CC1=C([O-])NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5[CH]([CH]12)C(=C([O-])NC5=O)C)O3 | | InChi: | InChI=1S/C20H30N4O15P2/c1-7-15-16-8(2)18(27)22-20(29)24(16)14-4-10(12(38-14)6-35-40(30,31)32)39-41(33,34)36-5-11-9(25)3-13(37-11)23(15)19(28)21-17(7)26/h9-16,25-27H,3-6H2,1-2H3,(H,21,28)(H,22,29)(H,33,34)(H2,30,31,32)/p-2/t9-,10-,11+,12+,13+,14+,15-,16+/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 |
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 | | XRU | | Name: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide | | Formula: | C22 H36 Cl N5 O2 | | SMILES: | O=C(Nc1cc(C(=O)NCCN(CC)CC)c(Cl)cc1)N1CCC(C1)N(CC)CC | | InChi: | InChI=1S/C22H36ClN5O2/c1-5-26(6-2)14-12-24-21(29)19-15-17(9-10-20(19)23)25-22(30)28-13-11-18(16-28)27(7-3)8-4/h9-10,15,18H,5-8,11-14,16H2,1-4H3,(H,24,29)(H,25,30)/t18-/m0/s1 | | Definition date: | 2023-11-09 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide |
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 | | VIC | | Name: | 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline | | Formula: | C24 H29 N O4 | | SMILES: | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | | InChi: | InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3 | | Definition date: | 2023-07-23 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline |
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 | | ZUL | | Name: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid | | Formula: | C19 H14 F N O2 | | SMILES: | OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3 | | InChi: | InChI=1S/C19H14FNO2/c20-15-9-10-17(19(22)23)18(12-15)21-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12,21H,(H,22,23) | | Definition date: | 2023-07-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid |
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