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4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamideCompound CID : 137553162IUPAC Name: 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamideSMILES: ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1InChIKey: HZYLVYNCWLAIGF-UHFFFAOYSA-NInChI: 1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)
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4-[3-cyano-3-(1-methylcyclopropyl)-2-oxopyrrolidin-1-yl]-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methylpyridine-2-carboxamideCompound CID : 139327267IUPAC Name: 4-[3-cyano-3-(1-methylcyclopropyl)-2-oxopyrrolidin-1-yl]-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methylpyridine-2-carboxamideSMILES: N#CC1(CCN(C1=O)c1cc(C)nc(c1)C(=O)NCc1cc(F)cc(c1)c1cnn(c1)C)C1(C)CC1InChIKey: PFICVJYRZDMEIX-UHFFFAOYSA-NInChI: 1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)
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6-(4-tert-Butylphenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrileCompound CID : 154733033IUPAC Name: 6-(4-tert-Butylphenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrileSMILES: N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)CInChIKey: LIARSLHDKGMNOW-UHFFFAOYSA-NInChI: 1S/C30H26N4O/c1-19-26-27(23-12-8-9-13-25(23)35)24(18-31)28(20-14-16-21(17-15-20)30(2,3)4)32-29(26)34(33-19)22-10-6-5-7-11-22/h5-17,35H,1-4H3
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AIM-1290Compound CID : 162366982IUPAC Name: N-[2-(2,4-Difluorophenyl)-1,3-thiazol-5-yl]-4-(1,4-oxazepan-4-yl)butanamide trifluoroacetateSMILES: Fc1ccc(c2ncc(NC(=O)CCCN3CCCOCC3)s2)c(F)c1InChIKey: RPGKIKHEBZDURC-UHFFFAOYSA-NInChI: 1S/C18H21F2N3O2S/c19-13-4-5-14(15(20)11-13)18-21-12-17(26-18)22-16(24)3-1-6-23-7-2-9-25-10-8-23/h4-5,11-12H,1-3,6-10H2,(H,22,24)
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ACT-451840CAS号: 1839508-99-4 Compound CID : 53303762IUPAC Name: (E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)-N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]prop-2-enamideSMILES: N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1InChIKey: BQZUYCCCNXOADJ-TVNMEPFQSA-NInChI: See more
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CDRI-97/78CAS号: 372960-05-9 Compound CID : 9870599IUPAC Name: 4-[2-methyl-2-[4-(1-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylethenyl)phenoxy]propoxy]-4-oxobutanoic acidSMILES: O=C(OCC(Oc1ccc(cc1)C(=C)C1COC2(OO1)C1CC3CC2CC(C1)C3)(C)C)CCC(=O)OInChIKey: LKAAAECAYCDCQW-UHFFFAOYSA-NInChI: 1S/C28H36O8/c1-17(24-15-33-28(36-35-24)21-11-18-10-19(13-21)14-22(28)12-18)20-4-6-23(7-5-20)34-27(2,3)16-32-26(31)9-8-25(29)30/h4-7,18-19,21-22,24H,1,8-16H2,2-3H3,(H,29,30)
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DDD85646CAS号: 1215010-55-1 Compound CID : 44199337分子式: C21H24Cl2N6O2S 分子量: 495.43IUPAC Name: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamideSMILES: CC1=C(C(=NN1C)C)NS(=O)(=O)C2=C(C=C(C=C2Cl)C3=CC(=NC=C3)N4CCNCC4)ClInChIKey: XMBSZPZJLPTFMV-UHFFFAOYSA-NInChI: 1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3
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HTI-1Compound CID : 154699468IUPAC Name: (3R,4S,5R,6R)-6-(hydroxymethyl)-4-(8-quinolin-6-yloxyoctoxy)oxane-2,3,5-triolSMILES: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)OInChIKey: PHDIJLFSKNMCMI-ITGJKDDRSA-NInChI: 1S/C23H33NO7/c25-15-19-20(26)22(21(27)23(28)31-19)30-13-6-4-2-1-3-5-12-29-17-9-10-18-16(14-17)8-7-11-24-18/h7-11,14,19-23,25-28H,1-6,12-13,15H2/t19-,20-,21-,22+,23?/m1/s1
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JX21108CAS号: 2484124-18-5 Compound CID : 162366977IUPAC Name: 2-[7-[(5-cyano-1-methylindol-3-yl)methyl]-2-aza-7-azoniaspiro[4.4]nonan-2-yl]-N-hydroxypyrimidine-5-carboxamideSMILES: Cn1cc(C[NH+]2CCC3(CCN(c4ncc(C(=O)NO)cn4)C3)C2)c2cc(C#N)ccc12InChIKey: XYBGCCKUMXSCIP-UHFFFAOYSA-OInChI: 1S/C23H25N7O2/c1-28-12-18(19-8-16(9-24)2-3-20(19)28)13-29-6-4-23(14-29)5-7-30(15-23)22-25-10-17(11-26-22)21(31)27-32/h2-3,8,10-12,32H,4-7,13-15H2,1H3,(H,27,31)/p+1
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JPC-3210CAS号: 1609655-35-7 Compound CID : 90122671IUPAC Name: 4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-fluoro-6-(trifluoromethyl)pyridin-3-yl]phenolSMILES: Oc1c(CNC(C)(C)C)cc(cc1c1cnc(c(c1)F)C(F)(F)F)C(C)(C)CInChIKey: DYULPLHABFGTOQ-UHFFFAOYSA-NInChI: 1S/C21H26F4N2O/c1-19(2,3)14-7-13(11-27-20(4,5)6)17(28)15(9-14)12-8-16(22)18(26-10-12)21(23,24)25/h7-10,27-28H,11H2,1-6H3
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JX35CAS号: 2482998-34-3 Compound CID : 162679550IUPAC Name: 2-{2-[(6-cyano-1-methyl-1H-indol-3-yl)methyl]-2,6-diazaspiro[3.4]octan-6-yl}-N-hydroxypyrimidine-5-carboxamideSMILES: ONC(=O)c1cnc(N2CC3(CN(Cc4cn(C)c5c4ccc(C#N)c5)C3)CC2)nc1InChIKey: WBVFFDSDELAGSY-UHFFFAOYSA-NInChI: 1S/C22H23N7O2/c1-27-10-17(18-3-2-15(7-23)6-19(18)27)11-28-12-22(13-28)4-5-29(14-22)21-24-8-16(9-25-21)20(30)26-31/h2-3,6,8-10,31H,4-5,11-14H2,1H3,(H,26,30)
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MMV1803022Compound CID : 162366983IUPAC Name: 1-(3,4-difluorophenyl)-2-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]oxy]ethanolSMILES: CC(C)(C)Oc1ccc(cc1)c1nnc2cncc(OCC(O)c3cc(F)c(F)cc3)n12InChIKey: YXNHLRADFLNVIV-UHFFFAOYSA-NInChI: 1S/C23H22F2N4O3/c1-23(2,3)32-16-7-4-14(5-8-16)22-28-27-20-11-26-12-21(29(20)22)31-13-19(30)15-6-9-17(24)18(25)10-15/h4-12,19,30H,13H2,1-3H3
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