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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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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Pioglitazone (AD-4833)CAS号 : 111025-46-8(DMSO)分子式: C19H20N2O3S 分子量: 356.44SMILES: CCC1=CC=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1
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SMI-4aCAS号 : 438190-29-5(DMSO)分子式: C11H6F3NO2S 分子量: 273.23SMILES: FC(F)(F)C1=CC(=CC=C1)\C=C2/SC(=O)NC2=O
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呋喃妥因CAS号 : 67-20-9分子式: C8H6N4O5 分子量: 238.16IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dioneSMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]InChIKey: NXFQHRVNIOXGAQ-YCRREMRBSA-NInChI: InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
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TriapineCAS号 : 200933-27-3分子式: C7H9N5S 分子量: 195.24IUPAC Name: [(E)-(3-aminopyridin-2-yl)methylideneamino]thioureaSMILES: C1=CC(=C(N=C1)C=NNC(=S)N)NInChIKey: XMYKNCNAZKMVQN-NYYWCZLTSA-NInChI: InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+