| 5FZ | 表記: | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | 組成式: | C17 H18 N2 O5 S | SMILES: | CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccc(OC)cc3)cc12 | InChi: | InChI=1S/C17H18N2O5S/c1-4-14-13-9-15(17(23-3)10-16(13)24-18-14)19-25(20,21)12-7-5-11(22-2)6-8-12/h5-10,19H,4H2,1-3H3 | 定義日: | 2021-08-17 | 最終更新日: | 2022-08-12 | 公開日: | 2022-08-17 | 識別子(ID): | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide |
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| 5E3 | 表記: | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | 組成式: | C17 H18 N2 O5 S | SMILES: | CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12 | InChi: | InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3 | 定義日: | 2021-08-17 | 最終更新日: | 2022-08-05 | 公開日: | 2022-08-10 | 識別子(ID): | ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide |
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| I2S | 表記: | (7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one | 組成式: | C24 H20 Cl N3 O3 S | SMILES: | Cc1ccc(cc1)S(=O)(=O)n1cc2CCNC3=CC(=NCc4ccc(Cl)cc4)C(=O)c1c32 | InChi: | InChI=1S/C24H20ClN3O3S/c1-15-2-8-19(9-3-15)32(30,31)28-14-17-10-11-26-20-12-21(24(29)23(28)22(17)20)27-13-16-4-6-18(25)7-5-16/h2-9,12,14,26H,10-11,13H2,1H3/b27-21- | 定義日: | 2022-01-07 | 最終更新日: | 2022-08-05 | 公開日: | 2022-08-10 | 識別子(ID): | (7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one |
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| JFU | 表記: | ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide | 組成式: | C23 H23 F2 N5 O3 S | SMILES: | CCN1C(=O)c2cc(nc3c(N[S](=O)(=O)c4ccc(F)cc4F)ccc1c23)N5CCN(C)CC5 | InChi: | InChI=1S/C23H23F2N5O3S/c1-3-30-18-6-5-17(27-34(32,33)19-7-4-14(24)12-16(19)25)22-21(18)15(23(30)31)13-20(26-22)29-10-8-28(2)9-11-29/h4-7,12-13,27H,3,8-11H2,1-2H3 | 定義日: | 2022-01-18 | 最終更新日: | 2022-08-05 | 公開日: | 2022-08-10 | 識別子(ID): | ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide |
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| NKF | 表記: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile | 組成式: | C22 H24 N6 O | SMILES: | N#Cc1cccc(c1C)C(C)Nc1nnc(C)c2cnc(cc12)N1CCOCC1 | InChi: | InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1 | 定義日: | 2022-04-05 | 最終更新日: | 2022-07-22 | 公開日: | 2022-07-27 | 識別子(ID): | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile |
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| QFC | 表記: | Mezigdomide | 組成式: | C32 H30 F N5 O4 | SMILES: | O=C1NC(=O)CCC1N1Cc2c(cccc2OCc2ccc(cc2)CN2CCN(CC2)c2ccc(C#N)cc2F)C1=O | InChi: | InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1 | 定義日: | 2022-06-08 | 最終更新日: | 2022-07-15 | 公開日: | 2022-07-20 | 識別子(ID): | 4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile |
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| WXJ | 表記: | 4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile | 組成式: | C14 H12 N6 O | SMILES: | c3c(OCCN1C=2C(=C(N)N=C1)N=CN=2)ccc(c3)C#N | InChi: | InChI=1S/C14H12N6O/c15-7-10-1-3-11(4-2-10)21-6-5-20-9-19-13(16)12-14(20)18-8-17-12/h1-4,8-9H,5-6,16H2 | 定義日: | 2020-11-17 | 最終更新日: | 2022-07-08 | 公開日: | 2022-07-13 | 識別子(ID): | 4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile |
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| 7QC | 表記: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile | 組成式: | C20 H20 N4 O2 | SMILES: | COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N | InChi: | InChI=1S/C20H20N4O2/c1-24-12-23-19(20(24)15-6-4-13(10-21)5-7-15)18-16(25-2)8-14(11-22)9-17(18)26-3/h4-9,12H,11,22H2,1-3H3 | 定義日: | 2021-10-13 | 最終更新日: | 2022-07-01 | 公開日: | 2022-07-06 | 識別子(ID): | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile |
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| F6I | 表記: | (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | 組成式: | C18 H15 F3 N6 O3 S | SMILES: | O=C(Nc1nnn[NH]1)C1CN(Cc2ccccc12)S(=O)(=O)c1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-5-3-6-13(8-12)31(29,30)27-9-11-4-1-2-7-14(11)15(10-27)16(28)22-17-23-25-26-24-17/h1-8,15H,9-10H2,(H2,22,23,24,25,26,28)/t15-/m1/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2022-07-01 | 公開日: | 2022-07-06 | 識別子(ID): | (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| I0S | 表記: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide | 組成式: | C23 H25 N3 O4 S2 | SMILES: | O=C(Nc1nc(cs1)c1ccc(OC)cc1)C1CCCCN1S(=O)(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27) | 定義日: | 2022-01-04 | 最終更新日: | 2022-07-01 | 公開日: | 2022-07-06 | 識別子(ID): | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide |
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| 0IC | 表記: | 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide | 組成式: | C18 H23 N O6 S Se Te | SMILES: | COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC | InChi: | InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m0/s1 | 別名: | 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide | 定義日: | 2021-06-07 | 最終更新日: | 2022-06-17 | 公開日: | 2022-06-22 | 識別子(ID): | 4-[(2~{S})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide |
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| C3U | 表記: | 1-chloranyl-2-methyl-benzene | 組成式: | C7 H7 Cl | SMILES: | Cc1ccccc1Cl | InChi: | InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 | 別名: | 1-Chloro-2-methylbenzene | 定義日: | 2019-04-10 | 最終更新日: | 2022-06-17 | 公開日: | 2022-06-22 | 識別子(ID): | 1-chloranyl-2-methyl-benzene |
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| C4O | 表記: | 1-chloranyl-4-methyl-benzene | 組成式: | C7 H7 Cl | SMILES: | Cc1ccc(Cl)cc1 | InChi: | InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 | 別名: | 1-chloro-4-methylbenzene | 定義日: | 2019-04-10 | 最終更新日: | 2022-06-17 | 公開日: | 2022-06-22 | 識別子(ID): | 1-chloranyl-4-methyl-benzene |
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| C4U | 表記: | 1-chloranyl-3-methyl-benzene | 組成式: | C7 H7 Cl | SMILES: | Cc1cccc(Cl)c1 | InChi: | InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 | 別名: | 1-chloro-3-methylbenzene | 定義日: | 2019-04-10 | 最終更新日: | 2022-06-17 | 公開日: | 2022-06-22 | 識別子(ID): | 1-chloranyl-3-methyl-benzene |
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| C5O | 表記: | 1-bromanyl-4-methyl-benzene | 組成式: | C7 H7 Br | SMILES: | Cc1ccc(Br)cc1 | InChi: | InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 | 別名: | 1-bromo-4-methylbenzene | 定義日: | 2019-04-10 | 最終更新日: | 2022-06-17 | 公開日: | 2022-06-22 | 識別子(ID): | 1-bromanyl-4-methyl-benzene |
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| XQS | 表記: | sibrafiban (active form) | 組成式: | C18 H24 N4 O5 | SMILES: | C1(OCC(O)=O)CCN(CC1)C(=O)C(NC(c2ccc(/C(N)=N)cc2)=O)C | InChi: | InChI=1S/C18H24N4O5/c1-11(21-17(25)13-4-2-12(3-5-13)16(19)20)18(26)22-8-6-14(7-9-22)27-10-15(23)24/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,21,25)(H,23,24)/t11-/m0/s1 | 別名: | ({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid | 定義日: | 2021-01-04 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | ({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid |
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| N0Y | 表記: | 1-benzyl-4-methoxybenzene | 組成式: | C14 H14 O | SMILES: | c1c(cccc1)Cc2ccc(cc2)OC | InChi: | InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 | 定義日: | 2019-04-29 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | 1-benzyl-4-methoxybenzene |
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| RKX | 表記: | 4-methoxybenzenecarboximidamide | 組成式: | C8 H10 N2 O | SMILES: | COc1ccc(cc1)C(N)=N | InChi: | InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10) | 定義日: | 2021-12-21 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | 4-methoxybenzenecarboximidamide |
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| 64W | 表記: | 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide | 組成式: | C8 H11 N3 O3 S | SMILES: | O=S(N)(=O)c1ccc(NC(=O)NC)cc1 | InChi: | InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12) | 定義日: | 2021-08-02 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide |
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| 65M | 表記: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide | 組成式: | C15 H17 N3 O3 S | SMILES: | O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1 | InChi: | InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21) | 定義日: | 2021-08-02 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide |
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| I0A | 表記: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane | 組成式: | C30 H34 Cl N5 O5 S | SMILES: | CC[S](=O)(=O)n1cc2c3ccc(OCCCCCCOc4cc(Nc5ncc(Cl)c2n5)ccc4N6CCOCC6)cc13 | InChi: | InChI=1S/C30H34ClN5O5S/c1-2-42(37,38)36-20-24-23-9-8-22(18-27(23)36)40-13-5-3-4-6-14-41-28-17-21(33-30-32-19-25(31)29(24)34-30)7-10-26(28)35-11-15-39-16-12-35/h7-10,17-20H,2-6,11-16H2,1H3,(H,32,33,34) | 定義日: | 2022-05-27 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 |
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| 05G | 表記: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid | 組成式: | C18 H16 N2 O8 S2 | SMILES: | Cc1cc(/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)O)c(cc1S(O)(=O)=O)OC | InChi: | InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+ | 定義日: | 2021-06-01 | 最終更新日: | 2022-05-27 | 公開日: | 2022-06-01 | 識別子(ID): | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid |
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| VGT | 表記: | 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide | 組成式: | C15 H17 N O3 S2 Se | SMILES: | N[S](=O)(=O)c1ccc(SC[CH](O)C[Se]c2ccccc2)cc1 | InChi: | InChI=1S/C15H17NO3S2Se/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)/t12-/m1/s1 | 定義日: | 2021-05-18 | 最終更新日: | 2022-05-27 | 公開日: | 2022-06-01 | 識別子(ID): | 4-[(2~{R})-2-oxidanyl-3-phenylselanyl-propyl]sulfanylbenzenesulfonamide |
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| FKT | 表記: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide | 組成式: | C35 H33 F3 N8 O3 | SMILES: | CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4C=CC1=Nn34)c(C)c(c2)C(=O)Nc5cc(cc(c5)C(F)(F)F)n6cnc(C)c6 | InChi: | InChI=1S/C35H33F3N8O3/c1-22-20-45(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-34(48)30-18-29-14-24(23(30)2)7-8-27-19-40-31-9-10-32(43-46(27)31)44(3)12-11-39-33(47)6-4-5-13-49-29/h9-10,14-21H,4-6,11-13H2,1-3H3,(H,39,47)(H,42,48) | 定義日: | 2022-04-28 | 最終更新日: | 2022-05-27 | 公開日: | 2022-06-01 |
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| YWM | 表記: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | 組成式: | C34 H51 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1 | 定義日: | 2021-04-02 | 最終更新日: | 2022-04-15 | 公開日: | 2022-04-20 | 識別子(ID): | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate |
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