小分子和化合物库
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UPF 1069,PARP2抑制剂CAS号 : 1048371-03-4 Compound CID : 25015515分子式: C17H13NO3 分子量: 279.29IUPAC Name: 5-phenacyloxy-2H-isoquinolin-1-oneSMILES: C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=OInChIKey: JJWMRRNGWSITSQ-UHFFFAOYSA-NInChI: InChI=1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)
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茶苯海明分子式: C17H21NO · C7H7ClN4O2 分子量: 469.96IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dioneSMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-NInChI: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
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VU 0467485,M4受体的正变构调节剂CAS号 : 1451994-10-7 Compound CID : 89777239分子式: C17H17FN4O2S 分子量: 360.41IUPAC Name: 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamideSMILES: CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)CInChIKey: VFNHDIWHQGVWLL-UHFFFAOYSA-NInChI: InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
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D,L-三苯甲基盐酸盐CAS号 : 58947-95-8 Compound CID : 66007分子式: C20H32ClNO 分子量: 337.93IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochlorideSMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.ClInChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-NInChI: InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
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3,5,7,8-四氢-2-[4-(三氟甲基)苯基]-4H-硫代吡喃并[4,3-d]嘧啶-4-酮CAS号 : 284028-89-3(DMSO)分子式: C14H11F3N2OS 分子量: 312.31SMILES: OC1=C2CSCCC2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F
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Niraparib (MK-4827)CAS号 : 1038915-60-4(DMSO)分子式: C19H20N4O 分子量: 320.39SMILES: NC(=O)C1=CC=CC2=C[N](N=C12)C3=CC=C(C=C3)C4CCCNC4
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Olaparib (AZD2281)CAS号 : 763113-22-0(DMSO)分子式: C24H23FN4O3 分子量: 434.46SMILES: FC1=C(C=C(CC2=NNC(=O)C3=C2C=CC=C3)C=C1)C(=O)N4CCN(CC4)C(=O)C5CC5
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OxybutyninCAS号 : 5633-20-5(DMSO)分子式: C22H31NO3 分子量: 357.49SMILES: CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
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UPF 1069CAS号 : 1048371-03-4(DMSO)分子式: C17H13NO3 分子量: 279.29SMILES: O=C(COC1=C2C=CNC(=O)C2=CC=C1)C3=CC=CC=C3
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Veliparib (ABT-888)CAS号 : 912444-00-9(DMSO)分子式: C13H16N4O 分子量: 244.29SMILES: CC1(CCCN1)C2=NC3=C(C=CC=C3[NH]2)C(N)=O
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东莨菪碱氢溴酸盐CAS号 : 114-49-8(DMSO)分子式: C17H21NO4·HBr 分子量: 384.26SMILES: Br.CN1C2CC(CC1C3OC23)OC(=O)C(CO)C4=CC=CC=C4
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