 | WOJ | Name: | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine | Formula: | C7 H16 N2 O2 S | SMILES: | CC1CN(CCC1N)S(C)(=O)=O | InChi: | InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine |
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 | WP4 | Name: | (3R)-N-benzylpyrrolidin-3-amine | Formula: | C11 H16 N2 | SMILES: | c1cc(ccc1)CNC2CCNC2 | InChi: | InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1 | Definition date: | 2020-11-02 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (3R)-N-benzylpyrrolidin-3-amine |
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 | WQD | Name: | UDP-4-deoxy-4-formamido-beta-L-arabinopyranose | Formula: | C15 H23 N3 O16 P2 | SMILES: | C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O | InChi: | InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Definition date: | 2020-11-04 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | WSS | Name: | tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium | Formula: | C44 H85 N O8 P | SMILES: | C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O | InChi: | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1 | Definition date: | 2020-11-04 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium |
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 | E0O | Name: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid | Formula: | C10 H11 Cl O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(O)=O | InChi: | InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | Definition date: | 2019-09-30 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid |
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 | EA6 | Name: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine | Formula: | C14 H19 Cl F N5 O2 | SMILES: | CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl | InChi: | InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20) | Definition date: | 2019-11-28 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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 | EWR | Name: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid | Formula: | C25 H29 N O4 S | SMILES: | CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O | InChi: | InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1 | Definition date: | 2020-02-13 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | (2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid |
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 | EX0 | Name: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine | Formula: | C26 H29 F N8 O | SMILES: | CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | InChi: | InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1 | Definition date: | 2020-02-13 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine |
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 | EX3 | Name: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine | Formula: | C27 H30 F N7 O | SMILES: | CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | InChi: | InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1 | Definition date: | 2020-02-13 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine |
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 | F5A | Name: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid | Formula: | C17 H15 Cl O4 | SMILES: | C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O | InChi: | InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | Definition date: | 2019-01-23 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid |
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 | F80 | Name: | N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine | Formula: | C19 H25 N5 O | SMILES: | CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 | InChi: | InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24) | Definition date: | 2020-04-08 | Last modified: | 2020-11-06 | Release date: | 2020-11-11 | Identifier: | ~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine |
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 | GB9 | Name: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide | Formula: | C12 H8 Cl F N2 O | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2 | InChi: | InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | Synonyms: | ztz240 | Definition date: | 2020-08-17 | Last modified: | 2020-11-05 | Release date: | 2020-09-16 | Identifier: | ~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide |
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 | QTT | Name: | 2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid | Formula: | C23 H32 N4 O2 | SMILES: | CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)=O)Cc3cccc(C)n3 | InChi: | InChI=1S/C23H32N4O2/c1-17-8-6-10-19(24-17)14-26(3)21-12-4-5-13-22(21)27(16-23(28)29)15-20-11-7-9-18(2)25-20/h6-11,21-22H,4-5,12-16H2,1-3H3,(H,28,29)/t21-,22-/m0/s1 | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid |
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 | GYX | Name: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | Formula: | C27 H31 N3 O2 | SMILES: | C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34 | InChi: | InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1 | Definition date: | 2020-10-09 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
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 | R4P | Name: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid | Formula: | C21 H17 N3 O2 | SMILES: | c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O | InChi: | InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26) | Definition date: | 2020-01-30 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid |
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 | R6K | Name: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide | Formula: | C34 H41 N7 O2 | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3 | InChi: | InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1 | Definition date: | 2020-09-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide |
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 | QOQ | Name: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine | Formula: | C18 H19 Cl F2 N6 | SMILES: | Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1 | InChi: | InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1 | Definition date: | 2020-07-13 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
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 | N28 | Name: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide | Formula: | C20 H26 N4 O4 | SMILES: | NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1 | InChi: | InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26) | Definition date: | 2019-11-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide |
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 | ROY | Name: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | Formula: | C17 H20 Cl2 N4 O | SMILES: | C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4 | InChi: | InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24) | Definition date: | 2020-02-18 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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 | RP7 | Name: | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol | Formula: | C6 H11 N O | SMILES: | CN1CC=CC(C1)O | InChi: | InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1 | Definition date: | 2020-02-18 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol |
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 | SL4 | Name: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile | Formula: | C23 H20 F N3 O4 S | SMILES: | CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34 | InChi: | InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1 | Definition date: | 2020-03-11 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile |
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 | TJG | Name: | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide | Formula: | C21 H27 N3 O2 | SMILES: | c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4 | InChi: | InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17- | Definition date: | 2020-03-23 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide |
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 | V4A | Name: | Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] | Formula: | C22 H16 N8 Pt | SMILES: | c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8 | InChi: | InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11 | Definition date: | 2020-06-24 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+) |
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 | VFG | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Formula: | C5 H8 N4 O3 S2 | SMILES: | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10) | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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 | VFJ | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide | Formula: | C6 H10 N4 O3 S2 | SMILES: | C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11) | Definition date: | 2020-08-07 | Last modified: | 2020-10-30 | Release date: | 2020-11-04 | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide |
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