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A-803467CAS号 : 944261-79-4(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(Cl)C=C3)OC
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Ganetespib (STA-9090)CAS号 : 888216-25-9(DMSO)分子式: C20H20N4O3 分子量: 364.4SMILES: CC(C)C1=C(O)C=C(O)C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)[N](C)C=C4
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RanolazineCAS号 : 95635-55-5(DMSO)分子式: C24H33N3O4 分子量: 427.54SMILES: COC1=CC=CC=C1OCC(O)CN2CCN(CC2)CC(=O)NC3=C(C)C=CC=C3C
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格尔德霉素CAS号 : 30562-34-6(DMSO)分子式: C29H40N2O9 分子量: 560.64SMILES: COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C\C(OC)C(OC(N)=O)\C(=C\C(C)C1O)C)C)C2=O
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BIIB021CAS号 : 848695-25-0分子式: C14H15ClN6O 分子量: 318.77IUPAC Name: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amineSMILES: CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)NInChIKey: QULDDKSCVCJTPV-UHFFFAOYSA-NInChI: InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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度洛西汀CAS号 : 116539-59-4分子式: C18H19NOS 分子量: 297.42IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amineSMILES: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-NInChI: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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GS967CAS号 : 1262618-39-2分子式: C14H7F6N3O 分子量: 347.22IUPAC Name: 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridineSMILES: C1=CC(=CC=C1C2=CN3C(=NN=C3C(F)(F)F)C=C2)OC(F)(F)FInChIKey: FEVBKJITJDHASC-UHFFFAOYSA-NInChI: InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
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HSP-990CAS号 : 934343-74-5分子式: C20H18FN5O2 分子量: 379.39IUPAC Name: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-oneSMILES: CC1=C2C(=NC(=N1)N)CC(NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OCInChIKey: WSMQUUGTQYPVPD-OAHLLOKOSA-NInChI: InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
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普罗帕酮CAS号 : 54063-53-5 Compound CID : 4932分子式: C21H27NO3 分子量: 341.44IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-oneSMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)OInChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-NInChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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索利非那星(YM905)CAS号 : 242478-37-1 Compound CID : 154059分子式: C23H26N2O2 分子量: 362.48IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylateSMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-NInChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
