 | | XI3 | | Name: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide | | Formula: | C27 H25 F N6 O S | | SMILES: | Cc1ccc(cc1F)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1 | | InChi: | InChI=1S/C27H25FN6OS/c1-17-4-6-21(12-23(17)28)34-15-22-25(32-34)30-16-31-26(22)33-9-2-3-20(14-33)27(35)29-13-18-5-7-24-19(11-18)8-10-36-24/h4-8,10-12,15-16,20H,2-3,9,13-14H2,1H3,(H,29,35)/t20-/m0/s1 | | Definition date: | 2022-11-21 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide |
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 | | XJ5 | | Name: | [(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone | | Formula: | C25 H36 N2 O | | SMILES: | CC1(C)CN(CCC1N)C(=O)C12CC3CC(CC(C)(C3)C1)(C2)c1ccccc1 | | InChi: | InChI=1S/C25H36N2O/c1-22(2)17-27(10-9-20(22)26)21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20H,9-17,26H2,1-3H3/t18-,20-,23+,24+,25-/m0/s1 | | Definition date: | 2022-11-22 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone |
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 | | XKE | | Name: | (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol | | Formula: | C32 H40 N4 O | | SMILES: | C=C(c1ccccc1)C12CCC(O)C2CC(CCCCCCCCCc2nnn[NH]2)=C1c1ccccc1 | | InChi: | InChI=1S/C32H40N4O/c1-24(25-15-10-7-11-16-25)32-22-21-29(37)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30-33-35-36-34-30/h7-8,10-13,15-18,28-29,37H,1-6,9,14,19-23H2,(H,33,34,35,36)/t28-,29+,32-/m0/s1 | | Definition date: | 2022-11-23 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1R,3aR,6aR)-4-phenyl-3a-(1-phenylethenyl)-5-[9-(1H-tetrazol-5-yl)nonyl]-1,2,3,3a,6,6a-hexahydropentalen-1-ol (non-preferred name) |
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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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 | | 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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 | | K1L | | Name: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | | Formula: | C21 H24 F N9 O11 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67 | | InChi: | InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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 | | K43 | | Name: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | | Formula: | C22 H26 F2 N10 O8 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | | InChi: | InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1 | | Synonyms: | 3',3'-c-di-(2'F,2'dAMP) | | Definition date: | 2022-05-19 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine |
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 | | K7L | | Name: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol | | Formula: | C6 H5 N3 O2 | | SMILES: | Oc1nc2nccn2c(O)c1 | | InChi: | InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10) | | Definition date: | 2023-08-10 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol |
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 | | KAX | | Name: | 9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine | | Formula: | C21 H25 F N10 O9 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4O[P](O)(=O)OC[CH]5C[CH]([CH](F)[CH]5O[P](O)(=O)OC[CH]4O3)n6cnc7c(N)ncnc67 | | InChi: | InChI=1S/C21H25FN10O9P2/c22-14-10(31-7-29-15-18(23)25-5-27-20(15)31)1-9-3-37-42(33,34)40-11-2-13(32-8-30-16-19(24)26-6-28-21(16)32)39-12(11)4-38-43(35,36)41-17(9)14/h5-14,17H,1-4H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t9-,10-,11+,12-,13-,14+,17-/m1/s1 | | Definition date: | 2022-05-23 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine |
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 | | KG0 | | Name: | (4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide | | Formula: | C20 H27 N3 O5 S | | SMILES: | CCC[CH](NC(=O)[C]1(C)CSC(=N1)C(C)=NO)C2=CC(=CC(=O)O2)OCC3CC3 | | InChi: | InChI=1S/C20H27N3O5S/c1-4-5-15(16-8-14(9-17(24)28-16)27-10-13-6-7-13)21-19(25)20(3)11-29-18(22-20)12(2)23-26/h8-9,13,15,26H,4-7,10-11H2,1-3H3,(H,21,25)/b23-12+/t15-,20+/m1/s1 | | Definition date: | 2022-05-25 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4~{R})-~{N}-[(1~{R})-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(~{E})-~{C}-methyl-~{N}-oxidanyl-carbonimidoyl]-5~{H}-1,3-thiazole-4-carboxamide |
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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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 | | KXL | | Name: | (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide | | Formula: | C22 H28 N4 O4 | | SMILES: | CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2 | | InChi: | InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide |
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 | | 9MF | | Name: | methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | | Formula: | C20 H21 F N2 O2 | | SMILES: | COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2 | | InChi: | InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24) | | Synonyms: | HN37 | | Definition date: | 2023-04-12 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate |
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 | | QUF | | Name: | ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Formula: | C27 H19 F6 N7 O | | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc(nc12)c5cccnc5 | | InChi: | InChI=1S/C27H19F6N7O/c1-14-5-6-15(25(41)36-19-10-17(26(28,29)30)9-18(11-19)27(31,32)33)8-21(14)37-23-20-13-35-40(2)24(20)39-22(38-23)16-4-3-7-34-12-16/h3-13H,1-2H3,(H,36,41)(H,37,38,39) | | Definition date: | 2022-11-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
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 | | QWF | | Name: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid | | Formula: | C47 H71 N9 O16 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C47H71N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,33-37H,4-5,10-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t33-,34-,35-,36-,37-/m0/s1 | | Definition date: | 2022-11-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | QYF | | Name: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | | Formula: | C49 H69 N9 O16 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1 | | Definition date: | 2022-11-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | OU3 | | Name: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one | | Formula: | C19 H19 F N2 O4 | | SMILES: | CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3 | | InChi: | InChI=1S/C19H19FN2O4/c1-9(2)6-15-21-13-8-14(23)17(24)18(25)16(13)19(26)22(15)11-4-5-12(20)10(3)7-11/h4-5,7-9,23-25H,6H2,1-3H3 | | Definition date: | 2023-02-10 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one |
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 | | R4U | | Name: | ~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine | | Formula: | C11 H16 N6 | | SMILES: | Nc1nc(NC2CCCCC2)c3c[nH]nc3n1 | | InChi: | InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17) | | Definition date: | 2022-11-23 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
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 | | R8F | | Name: | (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde | | Formula: | C14 H11 N5 O3 | | SMILES: | O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O | | InChi: | InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1 | | Synonyms: | (1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde | | Definition date: | 2022-11-25 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde |
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 | | TJL | | Name: | 4-(1,2,4-oxadiazol-5-yl)aniline | | Formula: | C8 H7 N3 O | | SMILES: | Nc1ccc(cc1)c1ncno1 | | InChi: | InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(1,2,4-oxadiazol-5-yl)aniline |
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 | | TJX | | Name: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine | | Formula: | C8 H9 N3 | | SMILES: | NCc1cc2nccn2cc1 | | InChi: | InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine |
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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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