小分子
选项
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2-巯基吡啶-N-氧化物 锌盐CAS号 : 13463-41-7(DMSO)分子式: C10H8N2O2S2Zn 分子量: 317.7SMILES: O1N2C=CC=CC2=[SH][Zn]13ON4C=CC=CC4=[SH]3
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Alisertib (MLN8237)CAS号 : 1028486-01-2(DMSO)分子式: C27H20ClFN4O4 分子量: 518.92SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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1-苯磺酰基-N-[4-(4-甲氧基苯基)-1,3-噻唑-2-基]哌啶-2-甲酰胺CAS号 : 1008671-38-2分子式: C22H23N3O4S2 分子量: 457.57IUPAC Name: 1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamideSMILES: COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4InChIKey: UUTYPVHYRISWDI-UHFFFAOYSA-NInChI: InChI=1S/C22H23N3O4S2/c1-29-17-12-10-16(11-13-17)19-15-30-22(23-19)24-21(26)20-9-5-6-14-25(20)31(27,28)18-7-3-2-4-8-18/h2-4,7-8,10-13,15,20H,5-6,9,14H2,1H3,(H,23,24,26)
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JNJ 303CAS号 : 878489-28-2分子式: C21H29ClN2O4S 分子量: 440.98IUPAC Name: 2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamideSMILES: CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)NS(=O)(=O)C)OC4=CC=C(C=C4)ClInChIKey: OSGIRCJRKSAODN-DJASPMHUSA-NInChI: InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14-,15+,18?,21?