小分子
选项
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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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BMS202(PD-1 / PD-L1抑制剂2)CAS号 : 1675203-84-5(DMSO)分子式: C25H29N3O3 分子量: 419.52SMILES: COC1=C(CNCCNC(C)=O)C=CC(=N1)OCC2=C(C)C(=CC=C2)C3=CC=CC=C3
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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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Rimonabant (SR141716)CAS号 : 168273-06-1(DMSO)分子式: C22H21Cl3N4O 分子量: 463.79SMILES: CC1=C([N](N=C1C(=O)NN2CCCCC2)C3=CC=C(Cl)C=C3Cl)C4=CC=C(Cl)C=C4
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Bay 59-3074CAS号 : 406205-74-1分子式: C18H13F6NO4S 分子量: 453.35IUPAC Name: [3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonateSMILES: C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)FInChIKey: LWUSZIVDPJPVBW-UHFFFAOYSA-NInChI: InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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JD-5037CAS号 : 1392116-14-1 Compound CID : 66553204分子式: C27H27Cl2N5O3S 分子量: 572.51IUPAC Name: (2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamideSMILES: CC(C)C(C(=O)N)N=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4InChIKey: GTCSIQFTNPTSLO-RPWUZVMVSA-NInChI: InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1
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Org 27569CAS号 : 868273-06-7分子式: C24H28ClN3O 分子量: 409.95IUPAC Name: 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamideSMILES: CCC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4InChIKey: AHFZDNYNXFMRFQ-UHFFFAOYSA-NInChI: InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)