| VFZ | 表記: | ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide | 組成式: | C17 H16 Cl N5 O3 S | SMILES: | Nc1oc(CN(CC2=CNC(=O)C=C2)C(=O)CSc3ccccc3Cl)nn1 | InChi: | InChI=1S/C17H16ClN5O3S/c18-12-3-1-2-4-13(12)27-10-16(25)23(9-15-21-22-17(19)26-15)8-11-5-6-14(24)20-7-11/h1-7H,8-10H2,(H2,19,22)(H,20,24) | 定義日: | 2021-05-18 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide |
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| VGQ | 表記: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide | 組成式: | C19 H15 Cl N4 O3 S | SMILES: | Oc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1 | InChi: | InChI=1S/C19H15ClN4O3S/c20-15-3-1-2-4-16(15)28-12-18(25)24(11-17-22-23-19(26)27-17)10-14-7-5-13(9-21)6-8-14/h1-8H,10-12H2,(H,23,26) | 定義日: | 2021-05-18 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide |
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| VHG | 表記: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | 組成式: | C33 H40 N4 O6 | SMILES: | CCC1=C(Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[CH]1C | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19,34-35H,2,7,9-15H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/t19-/m0/s1 | 定義日: | 2020-08-12 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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| VKA | 表記: | 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | 組成式: | C64 H84 F3 N11 O7 S | SMILES: | c1(c(ncs1)C)c2ccc(cc2)CNC(=O)C8N(C(=O)C(C(C)(C)C)NC(CCCCCCCCCC(NCCN7CCN(Cc6cc(c5cc(NC(C=3C=NC(=O)CC=3C(F)(F)F)=O)c(N4CCN(CC4)C)cc5)ccc6)CC7)=O)=O)CC(C8)O | InChi: | InChI=1S/C64H84F3N11O7S/c1-43-58(86-42-71-43)46-20-18-44(19-21-46)38-70-61(84)54-36-49(79)41-78(54)62(85)59(63(2,3)4)73-56(81)17-12-10-8-6-7-9-11-16-55(80)68-24-25-75-28-30-76(31-29-75)40-45-14-13-15-47(34-45)48-22-23-53(77-32-26-74(5)27-33-77)52(35-48)72-60(83)50-39-69-57(82)37-51(50)64(65,66)67/h13-15,18-23,34-35,39,42,49,54,59,79H,6-12,16-17,24-33,36-38,40-41H2,1-5H3,(H,68,80)(H,70,84)(H,72,83)(H,73,81)/t49-,54+,59-/m1/s1 | 別名: | Protac MS33 | 定義日: | 2020-08-20 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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| VU1 | 表記: | 4-[(piperidin-1-yl)methyl]benzoic acid | 組成式: | C13 H17 N O2 | SMILES: | C2CCCN(Cc1ccc(C(O)=O)cc1)C2 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16) | 定義日: | 2020-09-14 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 4-[(piperidin-1-yl)methyl]benzoic acid |
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| VU4 | 表記: | 4-(2-aminoethyl)benzoic acid | 組成式: | C9 H11 N O2 | SMILES: | C(=O)(O)c1ccc(cc1)CCN | InChi: | InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12) | 定義日: | 2020-09-14 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 4-(2-aminoethyl)benzoic acid |
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| 2IE | 表記: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide | 組成式: | C26 H27 N3 O4 | SMILES: | O=C(CC)N1CCCC(C1)c1cc(C(N)=O)c(Oc2ccc(Oc3ccccc3)cc2)nc1 | InChi: | InChI=1S/C26H27N3O4/c1-2-24(30)29-14-6-7-18(17-29)19-15-23(25(27)31)26(28-16-19)33-22-12-10-21(11-13-22)32-20-8-4-3-5-9-20/h3-5,8-13,15-16,18H,2,6-7,14,17H2,1H3,(H2,27,31)/t18-/m0/s1 | 定義日: | 2021-06-28 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide |
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| 2IJ | 表記: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide | 組成式: | C24 H24 N4 O3 | SMILES: | N=CN1CCCC(C1)c1cc(C(N)=O)c(Oc2ccc(Oc3ccccc3)cc2)nc1 | InChi: | InChI=1S/C24H24N4O3/c25-16-28-12-4-5-17(15-28)18-13-22(23(26)29)24(27-14-18)31-21-10-8-20(9-11-21)30-19-6-2-1-3-7-19/h1-3,6-11,13-14,16-17,25H,4-5,12,15H2,(H2,26,29)/b25-16-/t17-/m1/s1 | 定義日: | 2021-06-29 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide |
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| W9Y | 表記: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol | 組成式: | C21 H32 N6 O7 | SMILES: | N(CCCCCCNc2ccc(n1ccnn1)cc2[N+]([O-])=O)C3C(O)C(C(C(C3)(CO)O)O)O | InChi: | InChI=1S/C21H32N6O7/c28-13-21(32)12-16(18(29)19(30)20(21)31)23-8-4-2-1-3-7-22-15-6-5-14(11-17(15)27(33)34)26-10-9-24-25-26/h5-6,9-11,16,18-20,22-23,28-32H,1-4,7-8,12-13H2/t16-,18-,19+,20-,21-/m0/s1 | 定義日: | 2020-10-04 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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| WA7 | 表記: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol | 組成式: | C17 H26 N6 O7 | SMILES: | N(CCCCNc1ccc(cc1[N+](=O)[O-])N=[N+]=[N-])C2C(C(C(C(C2)(CO)O)O)O)O | InChi: | InChI=1S/C17H26N6O7/c18-22-21-10-3-4-11(13(7-10)23(29)30)19-5-1-2-6-20-12-8-17(28,9-24)16(27)15(26)14(12)25/h3-4,7,12,14-16,19-20,24-28H,1-2,5-6,8-9H2/t12-,14-,15+,16-,17-/m0/s1 | 定義日: | 2020-10-04 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | (1S,2S,3R,4S,5S)-5-({4-[(4-azido-2-nitrophenyl)amino]butyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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| WAS | 表記: | 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate | 組成式: | C18 H31 N7 O9 | SMILES: | N(CCNC(=O)OCCNc1ccc(cc1[N+](=O)[O-])NNN)C2C(C(C(C(CO)(C2)O)O)O)O | InChi: | InChI=1S/C18H31N7O9/c19-24-23-10-1-2-11(13(7-10)25(32)33)21-5-6-34-17(30)22-4-3-20-12-8-18(31,9-26)16(29)15(28)14(12)27/h1-2,7,12,14-16,20-21,23-24,26-29,31H,3-6,8-9,19H2,(H,22,30)/t12-,14-,15+,16-,18-/m0/s1 | 定義日: | 2020-10-05 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate |
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| WAV | 表記: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol | 組成式: | C17 H30 N6 O8 | SMILES: | N(CCOCCNc1ccc(cc1[N+]([O-])=O)NNN)C2C(C(O)C(C(CO)(C2)O)O)O | InChi: | InChI=1S/C17H30N6O8/c18-22-21-10-1-2-11(13(7-10)23(29)30)19-3-5-31-6-4-20-12-8-17(28,9-24)16(27)15(26)14(12)25/h1-2,7,12,14-16,19-22,24-28H,3-6,8-9,18H2/t12-,14-,15+,16-,17-/m0/s1 | 定義日: | 2020-10-05 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol |
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| 5P9 | 表記: | N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide | 組成式: | C15 H11 Cl N2 O2 | SMILES: | Clc1ccc(NC(=O)[CH]2CC(=O)c3ccccc23)nc1 | InChi: | InChI=1S/C15H11ClN2O2/c16-9-5-6-14(17-8-9)18-15(20)12-7-13(19)11-4-2-1-3-10(11)12/h1-6,8,12H,7H2,(H,17,18,20)/t12-/m1/s1 | 別名: | (1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide | 定義日: | 2021-07-14 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | (1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide |
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| S2K | 表記: | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid | 組成式: | C12 H21 N3 O7 | SMILES: | N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1 | 定義日: | 2020-11-06 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid |
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| S7T | 表記: | 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide | 組成式: | C19 H23 N3 O4 | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(CCC(=O)NO)c2 | InChi: | InChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24) | 別名: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide | 定義日: | 2020-11-11 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide |
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| X6M | 表記: | N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | 組成式: | C52 H59 F4 N9 O7 S | SMILES: | N1(C(C)CN(CC1C)c2ccc(cc2NC(C3=CNC(=O)C=C3C(F)(F)F)=O)c4c(ccc(c4)C(NCC(NC(C(=O)N7C(C(NC(C)c5ccc(cc5)c6scnc6C)=O)CC(O)C7)C(C)(C)C)=O)=O)F)C | InChi: | InChI=1S/C52H59F4N9O7S/c1-27-23-64(24-28(2)63(27)8)41-16-14-33(18-40(41)61-48(70)37-21-57-43(67)20-38(37)52(54,55)56)36-17-34(13-15-39(36)53)47(69)58-22-44(68)62-46(51(5,6)7)50(72)65-25-35(66)19-42(65)49(71)60-29(3)31-9-11-32(12-10-31)45-30(4)59-26-73-45/h9-18,20-21,26-29,35,42,46,66H,19,22-25H2,1-8H3,(H,57,67)(H,58,69)(H,60,71)(H,61,70)(H,62,68)/t27-,28+,29-,35+,42-,46+/m0/s1 | 別名: | Protac MS67 | 定義日: | 2020-08-20 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide |
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| XOD | 表記: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol | 組成式: | C23 H33 N5 O7 | SMILES: | N(C1C(O)C(C(C(C1)(CO)O)O)O)CCCCCCNc3c(cc(c2ncccn2)cc3)[N+](=O)[O-] | InChi: | InChI=1S/C23H33N5O7/c29-14-23(33)13-17(19(30)20(31)21(23)32)25-9-4-2-1-3-8-24-16-7-6-15(12-18(16)28(34)35)22-26-10-5-11-27-22/h5-7,10-12,17,19-21,24-25,29-33H,1-4,8-9,13-14H2/t17-,19-,20+,21-,23-/m0/s1 | 定義日: | 2020-12-22 | 最終更新日: | 2021-10-01 | 公開日: | 2021-10-06 | 識別子(ID): | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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| YNS | 表記: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide | 組成式: | C22 H28 N8 | SMILES: | Cc1cc(cc(C)c1)Nc1cccc(n1)c1c(C)nnn1C1CCN(CC1)C(=N)N | InChi: | InChI=1S/C22H28N8/c1-14-11-15(2)13-17(12-14)25-20-6-4-5-19(26-20)21-16(3)27-28-30(21)18-7-9-29(10-8-18)22(23)24/h4-6,11-13,18H,7-10H2,1-3H3,(H3,23,24)(H,25,26) | 定義日: | 2021-03-15 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide |
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| YW1 | 表記: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | 組成式: | C29 H32 N4 O4 | SMILES: | Cc1noc(C)c1c1cc(C(N)=O)c2c(c1)c1ccc(cc1n2CC1CC1)C(=O)N1CC(C)OC(C)C1 | InChi: | InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+ | 定義日: | 2021-04-01 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide |
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| YW4 | 表記: | 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | 組成式: | C28 H27 N3 O3 | SMILES: | Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2Cc1ccccc1)C(C)(C)O | InChi: | InChI=1S/C28H27N3O3/c1-16-25(17(2)34-30-16)19-12-22(27(29)32)26-21-11-10-20(28(3,4)33)14-23(21)31(24(26)13-19)15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3,(H2,29,32) | 定義日: | 2021-04-01 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide |
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| YW7 | 表記: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | 組成式: | C33 H35 N3 O4 | SMILES: | Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2C(c1ccccc1)C1CCOCC1)C(C)(C)O | InChi: | InChI=1S/C33H35N3O4/c1-19-29(20(2)40-35-19)23-16-26(32(34)37)30-25-11-10-24(33(3,4)38)18-27(25)36(28(30)17-23)31(21-8-6-5-7-9-21)22-12-14-39-15-13-22/h5-11,16-18,22,31,38H,12-15H2,1-4H3,(H2,34,37)/t31-/m1/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide |
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| YWA | 表記: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | 組成式: | C30 H33 N5 O2 | SMILES: | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 | InChi: | InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
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| YGG | 表記: | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole | 組成式: | C10 H11 N3 S | SMILES: | C(CSc1cnn[NH]1)c1ccccc1 | InChi: | InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-8-11-13-12-10/h1-5,8H,6-7H2,(H,11,12,13) | 定義日: | 2021-03-03 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole |
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| YWY | 表記: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | 組成式: | C30 H32 F N5 O2 | SMILES: | Cc1nnn(C)c1c1cc2n(c3cc(cnc3c2cc1F)C(C)(C)O)C(C1CCOCC1)c1ccccc1 | InChi: | InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | 定義日: | 2021-04-02 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol |
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| ZLA | 表記: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid | 組成式: | C33 H35 N7 O4 | SMILES: | O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1)n1cc(nn1)CNC(=O)c1cnc2ccccc2n1)C1CC1 | InChi: | InChI=1S/C33H35N7O4/c41-29(37-33(32(43)44)12-4-1-5-13-33)16-20-14-24(21-8-9-21)30(25(15-20)22-10-11-22)40-19-23(38-39-40)17-35-31(42)28-18-34-26-6-2-3-7-27(26)36-28/h2-3,6-7,14-15,18-19,21-22H,1,4-5,8-13,16-17H2,(H,35,42)(H,37,41)(H,43,44) | 定義日: | 2021-05-04 | 最終更新日: | 2021-09-24 | 公開日: | 2021-09-29 | 識別子(ID): | 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid |
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