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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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ElafibranorCAS号 : 923978-27-2(DMSO)分子式: C22H24O4S 分子量: 384.49SMILES: CSC1=CC=C(C=C1)C(=O)\C=C\C2=CC(=C(OC(C)(C)C(O)=O)C(=C2)C)C
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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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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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环丙贝特CAS号 : 52214-84-3(DMSO)分子式: C13H14Cl2O3 分子量: 289.15SMILES: CC(C)(OC1=CC=C(C=C1)C2CC2(Cl)Cl)C(O)=O
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BMS-687453CAS号 : 1000998-59-3分子式: C22H21ClN2O6 分子量: 444.86IUPAC Name: 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acidSMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OCInChIKey: UJIBXDMNCMEJAY-UHFFFAOYSA-NInChI: InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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苯扎贝特CAS号 : 41859-67-0分子式: C19H20ClNO4 分子量: 361.82IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acidSMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)ClInChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-NInChI: InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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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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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
