 | | H60 | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | | Formula: | C23 H31 N3 O4 | | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | | InChi: | InChI=1S/C23H31N3O4/c1-2-3-11-20(26-21(28)13-12-17-8-5-4-6-9-17)23(30)25-19(16-27)15-18-10-7-14-24-22(18)29/h4-6,8-9,12-13,16,18-20H,2-3,7,10-11,14-15H2,1H3,(H,24,29)(H,25,30)(H,26,28)/b13-12+/t18-,19-,20-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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 | | H63 | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | | Formula: | C22 H29 N3 O4 | | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O | | InChi: | InChI=1S/C22H29N3O4/c1-2-3-9-19(25-20(27)11-10-16-7-5-4-6-8-16)22(29)24-18(15-26)14-17-12-13-23-21(17)28/h4-8,10-11,15,17-19H,2-3,9,12-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)/b11-10+/t17-,18-,19-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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 | | H6F | | Name: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide | | Formula: | C30 H40 N4 O5 | | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O | | InChi: | InChI=1S/C30H40N4O5/c1-18(2)14-25(29(38)32-24(17-35)16-22-10-7-13-31-27(22)36)33-30(39)26(19(3)4)34-28(37)23-12-11-20-8-5-6-9-21(20)15-23/h5-6,8-9,11-12,15,17-19,22,24-26H,7,10,13-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,33,39)(H,34,37)/t22-,24-,25-,26-/m0/s1 | | Definition date: | 2020-11-18 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide |
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 | | H6L | | Name: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide | | Formula: | C26 H37 N5 O7 | | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | | InChi: | InChI=1S/C26H37N5O7/c1-15(2)12-21(25(35)28-19(14-32)13-18-6-5-11-27-23(18)33)29-26(36)22(16(3)4)30-24(34)17-7-9-20(10-8-17)31(37)38/h7-10,14-16,18-19,21-22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,21-,22-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide |
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 | | H6R | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide | | Formula: | C21 H23 N3 O4 | | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2 | | InChi: | InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide |
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 | | H80 | | Name: | [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Formula: | C21 H24 N2 O3 S | | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1 | | Definition date: | 2020-11-24 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | [2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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 | | H8U | | Name: | Paraherquamide A | | Formula: | C28 H35 N3 O5 | | SMILES: | CN1C(=O)[C]23C[CH]4C(C)(C)[C]5(C[C]14CN2CC[C]3(C)O)C(=O)Nc6c7OC=CC(C)(C)Oc7ccc56 | | InChi: | InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1 | | Definition date: | 2020-11-27 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 |
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 | | HFX | | Name: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one | | Formula: | C9 H9 Cl O2 S2 | | SMILES: | C[S](=O)c1sc(Cl)c2CCCC(=O)c12 | | InChi: | InChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1 | | Definition date: | 2021-01-06 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5~{H}-2-benzothiophen-4-one |
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 | | J8F | | Name: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile | | Formula: | C19 H17 N3 O | | SMILES: | CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile |
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 | | J8L | | Name: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C19 H20 N6 | | SMILES: | CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
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 | | J8O | | Name: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C17 H15 N5 O | | SMILES: | CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
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 | | J8R | | Name: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile | | Formula: | C18 H16 N4 O | | SMILES: | CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C18H16N4O/c1-22(8-9-23)18-7-4-15(13-21-18)10-17(12-20)16-5-2-14(11-19)3-6-16/h2-7,10,13,23H,8-9H2,1H3/b17-10+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile |
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 | | J8U | | Name: | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile | | Formula: | C21 H22 N4 | | SMILES: | CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile |
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 | | J8X | | Name: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile | | Formula: | C19 H17 N3 O2 | | SMILES: | CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2 | | InChi: | InChI=1S/C19H17N3O2/c1-22(10-11-23)16-8-6-14(7-9-16)12-15(13-20)19-21-17-4-2-3-5-18(17)24-19/h2-9,12,23H,10-11H2,1H3/b15-12+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile |
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 | | J93 | | Name: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C19 H15 N3 O S2 | | SMILES: | CN(CCO)c1sc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N | | InChi: | InChI=1S/C19H15N3OS2/c1-22(6-7-23)19-10-18-17(25-19)9-16(24-18)8-15(12-21)14-4-2-13(11-20)3-5-14/h2-5,8-10,23H,6-7H2,1H3/b15-8+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile |
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 | | JA9 | | Name: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole | | Formula: | C14 H9 Cl3 N2 O S | | SMILES: | CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) | | Synonyms: | Triclabendazole | | Definition date: | 2021-05-07 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole |
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 | | JAL | | Name: | 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol | | Formula: | C13 H10 Cl2 O2 | | SMILES: | Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O | | InChi: | InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 | | Synonyms: | Dichlorophen | | Definition date: | 2021-05-07 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol |
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 | | YA3 | | Name: | 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide | | Formula: | C41 H41 Cl N12 O6 S | | SMILES: | Cc8c(C)c7C(c1ccc(Cl)cc1)=NC(CC(=O)NCc5cn(CCCCNC(CNc2cccc3c2C(N(C3=O)C4C(NC(CC4)=O)=O)=O)=O)nn5)c6nnc(n6c7s8)C | | InChi: | InChI=1S/C41H41ClN12O6S/c1-21-22(2)61-41-34(21)36(24-9-11-25(42)12-10-24)46-29(37-50-48-23(3)53(37)41)17-32(56)45-18-26-20-52(51-49-26)16-5-4-15-43-33(57)19-44-28-8-6-7-27-35(28)40(60)54(39(27)59)30-13-14-31(55)47-38(30)58/h6-12,20,29-30,44H,4-5,13-19H2,1-3H3,(H,43,57)(H,45,56)(H,47,55,58)/t29-,30?/m0/s1 | | Definition date: | 2020-05-11 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | N-(4-{4-[({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)methyl]-1H-1,2,3-triazol-1-yl}butyl)-N~2~-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide |
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 | | YB7 | | Name: | ~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide | | Formula: | C18 H18 F3 N5 O2 S | | SMILES: | Cc1cc([nH]c1C(=O)N[CH](CN)c2sc(CO)cn2)c3ccc(cn3)C(F)(F)F | | InChi: | InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1 | | Definition date: | 2021-02-15 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | ~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide |
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 | | YBA | | Name: | ~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide | | Formula: | C18 H16 F4 N4 O2 S | | SMILES: | NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(c(F)c2)C(F)(F)F)c3scc(CO)n3 | | InChi: | InChI=1S/C18H16F4N4O2S/c19-12-5-9(1-2-11(12)18(20,21)22)13-3-4-14(25-13)16(28)26-15(6-23)17-24-10(7-27)8-29-17/h1-5,8,15,25,27H,6-7,23H2,(H,26,28)/t15-/m0/s1 | | Definition date: | 2021-02-15 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | ~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide |
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 | | YBD | | Name: | ~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide | | Formula: | C17 H16 Cl F N4 O2 S | | SMILES: | NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(Cl)c(F)c2)c3sc(CO)cn3 | | InChi: | InChI=1S/C17H16ClFN4O2S/c18-11-2-1-9(5-12(11)19)13-3-4-14(22-13)16(25)23-15(6-20)17-21-7-10(8-24)26-17/h1-5,7,15,22,24H,6,8,20H2,(H,23,25)/t15-/m1/s1 | | Definition date: | 2021-02-16 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | ~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide |
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 | | ZL1 | | Name: | N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide | | Formula: | C27 H20 F2 N4 O4 | | SMILES: | O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=CN(c2ccc(F)cc2)C1=O)C1CC1 | | InChi: | InChI=1S/C27H20F2N4O4/c28-17-5-8-19(9-6-17)33-13-1-2-21(27(33)36)26(35)31-18-7-10-23(22(29)14-18)37-20-11-12-30-24(15-20)32-25(34)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,35)(H,30,32,34) | | Definition date: | 2021-05-03 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide |
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 | | 5QZ | | Name: | 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid | | Formula: | C22 H21 N3 O3 | | SMILES: | CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4 | | InChi: | InChI=1S/C22H21N3O3/c1-24(2)21(26)17-7-3-5-15(11-17)16-6-4-8-18(12-16)25-20(14-9-10-14)19(13-23-25)22(27)28/h3-8,11-14H,9-10H2,1-2H3,(H,27,28) | | Definition date: | 2021-07-14 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid |
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 | | 5RB | | Name: | 5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid | | Formula: | C31 H34 N6 O3 | | SMILES: | CCC[CH]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4ncc(C(O)=O)c4[CH]5C[CH]5c6cn(C)nn6 | | InChi: | InChI=1S/C31H34N6O3/c1-3-8-23-12-4-5-14-36(23)30(38)22-11-6-9-20(15-22)21-10-7-13-24(16-21)37-29(27(18-32-37)31(39)40)26-17-25(26)28-19-35(2)34-33-28/h6-7,9-11,13,15-16,18-19,23,25-26H,3-5,8,12,14,17H2,1-2H3,(H,39,40)/t23-,25-,26-/m1/s1 | | Definition date: | 2021-07-14 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid |
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 | | 5RQ | | Name: | 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid | | Formula: | C28 H37 N3 O3 | | SMILES: | CCCC[CH]1CCCN1C(=O)[CH]2CCC[CH](C2)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5 | | InChi: | InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23-/m1/s1 | | Definition date: | 2021-07-14 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid |
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