 | | 8JA | | Name: | N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide | | Formula: | C12 H18 N4 O5 | | SMILES: | ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O | | InChi: | InChI=1S/C12H18N4O5/c17-9(5-3-1-2-4-6-10(18)16-21)14-8-7-13-12(20)15-11(8)19/h7,21H,1-6H2,(H,14,17)(H,16,18)(H2,13,15,19,20) | | Definition date: | 2021-12-17 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | ~{N}-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]-~{N}'-oxidanyl-octanediamide |
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 | | A1AE3 | | Name: | [3-({3-methoxy-4-[(6-methoxypyridin-3-yl)methoxy]phenyl}methyl)-3H-imidazo[4,5-b]pyridin-6-yl](2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone | | Formula: | C27 H27 N5 O5 | | SMILES: | O=C(N1CC2(C1)COC2)c1cc2ncn(Cc3ccc(OCc4ccc(OC)nc4)c(OC)c3)c2nc1 | | InChi: | InChI=1S/C27H27N5O5/c1-34-23-7-18(3-5-22(23)37-12-19-4-6-24(35-2)28-9-19)11-31-17-30-21-8-20(10-29-25(21)31)26(33)32-13-27(14-32)15-36-16-27/h3-10,17H,11-16H2,1-2H3 | | Definition date: | 2024-02-19 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [3-({3-methoxy-4-[(6-methoxypyridin-3-yl)methoxy]phenyl}methyl)-3H-imidazo[4,5-b]pyridin-6-yl](2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone |
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 | | A1AP6 | | Name: | N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide | | Formula: | C9 H13 N3 O2 S | | SMILES: | O=C(NCC(=O)N(C)C)c1scnc1C | | InChi: | InChI=1S/C9H13N3O2S/c1-6-8(15-5-11-6)9(14)10-4-7(13)12(2)3/h5H,4H2,1-3H3,(H,10,14) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide |
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 | | A1AP7 | | Name: | 4-(4-methyl-1H-pyrazol-5-yl)pyridine | | Formula: | C9 H9 N3 | | SMILES: | Cc1cn[NH]c1c1ccncc1 | | InChi: | InChI=1S/C9H9N3/c1-7-6-11-12-9(7)8-2-4-10-5-3-8/h2-6H,1H3,(H,11,12) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 4-(4-methyl-1H-pyrazol-5-yl)pyridine |
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 | | A1AP8 | | Name: | (2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol | | Formula: | C7 H12 N2 O | | SMILES: | Cc1nccn1CC(O)C | | InChi: | InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol |
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 | | A1AP9 | | Name: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C1NC(=O)NC21CCCNC2 | | InChi: | InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
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 | | A1AQA | | Name: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone | | Formula: | C11 H15 N3 O | | SMILES: | CC1CCCCN1C(=O)c1cnccn1 | | InChi: | InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone |
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 | | A1AQE | | Name: | methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate | | Formula: | C13 H16 F N O2 | | SMILES: | O=C(OC)C1(Cc2ccc(F)cc2)CCNC1 | | InChi: | InChI=1S/C13H16FNO2/c1-17-12(16)13(6-7-15-9-13)8-10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3/t13-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate |
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 | | A1AQF | | Name: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile | | Formula: | C5 H7 N O2 S | | SMILES: | N#CC1CCS(=O)(=O)C1 | | InChi: | InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile |
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 | | A1AQI | | Name: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine | | Formula: | C10 H13 N3 | | SMILES: | CC(C)n1c2ccccc2nc1N | | InChi: | InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine |
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 | | A1AQJ | | Name: | (3-hydroxyphenyl)(morpholin-4-yl)methanone | | Formula: | C11 H13 N O3 | | SMILES: | O=C(c1cccc(O)c1)N1CCOCC1 | | InChi: | InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3-hydroxyphenyl)(morpholin-4-yl)methanone |
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 | | A1ARP | | Name: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | | Formula: | C27 H34 N6 O3 S | | SMILES: | Cc1ncsc1c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(n2cc(nn2)C2CC2)C(C)(C)C)cc1 | | InChi: | InChI=1S/C27H34N6O3S/c1-16-23(37-15-29-16)19-7-5-17(6-8-19)12-28-25(35)22-11-20(34)13-32(22)26(36)24(27(2,3)4)33-14-21(30-31-33)18-9-10-18/h5-8,14-15,18,20,22,24,34H,9-13H2,1-4H3,(H,28,35)/t20-,22+,24-/m1/s1 | | Definition date: | 2024-05-13 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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 | | A1ASB | | Name: | (1Z)-N-hydroxy-2-methylpropanimidamide | | Formula: | C4 H10 N2 O | | SMILES: | CC(C)C(=N)NO | | InChi: | InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6) | | Definition date: | 2024-05-15 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (1Z)-N-hydroxy-2-methylpropanimidamide |
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 | | A1H1J | | Name: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate | | Formula: | C26 H26 Cl F N4 O3 | | SMILES: | CN(N(Cc1cccc(Cl)c1F)C=N)C(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3 | | InChi: | InChI=1S/C26H26ClFN4O3/c1-31(32(18-29)16-21-13-8-14-22(27)24(21)28)25(33)23(15-19-9-4-2-5-10-19)30-26(34)35-17-20-11-6-3-7-12-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/b29-18-/t23-/m0/s1 | | Definition date: | 2023-12-22 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate |
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 | | A1H1K | | Name: | ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | | Formula: | C29 H34 Cl N5 O3 S | | SMILES: | CN(N(Cc1ccc(Cl)cc1)C=N)C(=O)[CH](Cc2ccccc2)NC(=O)[CH](NC(=O)c3sccc3)C(C)(C)C | | InChi: | InChI=1S/C29H34ClN5O3S/c1-29(2,3)25(33-26(36)24-11-8-16-39-24)27(37)32-23(17-20-9-6-5-7-10-20)28(38)34(4)35(19-31)18-21-12-14-22(30)15-13-21/h5-16,19,23,25,31H,17-18H2,1-4H3,(H,32,37)(H,33,36)/b31-19-/t23-,25+/m0/s1 | | Definition date: | 2023-12-22 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide |
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 | | A1H7Y | | Name: | 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide | | Formula: | C26 H22 N4 O3 | | SMILES: | Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4 | | InChi: | InChI=1S/C26H22N4O3/c1-16-8-9-18(26(32)28-19-6-4-3-5-7-19)12-20(16)24-25(30(2)15-27-24)17-10-11-21-22(13-17)33-14-23(31)29-21/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31) | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide |
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 | | A1H7Z | | Name: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one | | Formula: | C25 H27 N3 O3 | | SMILES: | Cc1onc(c2cc(CN3CCCCC3)ccc2C)c1c4ccc5NC(=O)COc5c4 | | InChi: | InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29) | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one |
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 | | A1LX3 | | Name: | ~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine | | Formula: | C20 H23 N | | SMILES: | CNCCC[C]12CC[CH](c3ccccc13)c4ccccc24 | | InChi: | InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15-,20+ | | Synonyms: | Maprotiline | | Definition date: | 2024-02-08 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | ~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine |
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 | | A1LX6 | | Name: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine | | Formula: | C17 H19 N O | | SMILES: | CN1CCO[CH](c2ccccc2)c3ccccc3C1 | | InChi: | InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1 | | Synonyms: | Nefopam | | Definition date: | 2024-02-09 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (1~{S})-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine |
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 | | A1LX7 | | Name: | [(2R)-2-octanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Formula: | C25 H47 O13 P | | SMILES: | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCC | | InChi: | InChI=1S/C25H47O13P/c1-3-5-7-9-11-13-18(26)35-15-17(37-19(27)14-12-10-8-6-4-2)16-36-39(33,34)38-25-23(31)21(29)20(28)22(30)24(25)32/h17,20-25,28-32H,3-16H2,1-2H3,(H,33,34)/t17-,20-,21-,22+,23-,24-,25-/m1/s1 | | Definition date: | 2024-02-12 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [(2~{R})-2-octanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate |
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 | | A1LYV | | Name: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid | | Formula: | C17 H13 F3 N2 O6 | | SMILES: | OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O | | InChi: | InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1 | | Definition date: | 2024-03-07 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid |
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 | | FJW | | Name: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine | | Formula: | C20 H17 F N6 | | SMILES: | Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc4F)c5ncccc35 | | InChi: | InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25) | | Synonyms: | BAY 41-2272 | | Definition date: | 2023-07-25 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine |
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 | | I6O | | Name: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole | | Formula: | C20 H27 N3 | | SMILES: | C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1 | | InChi: | InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1 | | Definition date: | 2023-07-28 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole |
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 | | KBU | | Name: | 4-chloro-1H-benzimidazole | | Formula: | C7 H5 Cl N2 | | SMILES: | Clc1cccc2[NH]cnc21 | | InChi: | InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10) | | Definition date: | 2023-08-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 4-chloro-1H-benzimidazole |
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 | | L1U | | Name: | [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol | | Formula: | C12 H15 As N6 O S2 | | SMILES: | Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1 | | InChi: | InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
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