小分子和化合物库
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人血管紧张素 I 乙酸盐 水合物CAS号: 70937-97-2 Compound CID : 129893887分子式: C62H89N17O14·xC2H4O2·yH2O 分子量: 1296.48 (anhydrous,free base)IUPAC Name: See moreSMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O.OInChIKey: GQMWNZUFNXZMDE-TYQYNJATSA-NInChI: See more
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N -琥珀酰亚胺4 -叠氮- 2,3,5,6-四氟苯甲酸CAS号: 126695-58-7分子式: C11H4F4O4 分子量: 332.167IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-azido-2,3,5,6-tetrafluorobenzoateSMILES: C1CC(=O)N(C1=O)OC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)FInChIKey: HCTLWQSYGIBOFM-UHFFFAOYSA-NInChI: 1S/C11H4F4N4O4/c12-6-5(7(13)9(15)10(8(6)14)17-18-16)11(22)23-19-3(20)1-2-4(19)21/h1-2H2
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阿塞那平马来酸盐CAS号: 85650-56-2 EC号: 288-064-8分子式: C17H16ClNO ·C4H4O4 分子量: 401.84IUPAC Name: (Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaeneSMILES: CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)OInChIKey: GMDCDXMAFMEDAG-CHHFXETESA-NInChI: 1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-;/m1./s1
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AEE788 (NVP-AEE788),EGFR和VEGFR抑制剂CAS号: 497839-62-0分子式: C27H32N6 分子量: 440.58IUPAC Name: 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amineSMILES: CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5InChIKey: OONFNUWBHFSNBT-HXUWFJFHSA-NInChI: 1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
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3,3',5-三碘-L-甲状腺素钠CAS号: 55-06-1分子式: C15H11I3NNaO4 分子量: 672.96IUPAC Name: sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoateSMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.[Na+]InChIKey: SBXXSUDPJJJJLC-YDALLXLXSA-MInChI: 1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1
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LDN-57444,可逆的竞争性UCH-L1抑制剂CAS号: 668467-91-2分子式: C17H11Cl3N2O3 分子量: 397.64IUPAC Name: [(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetateSMILES: CC(=O)ON=C1C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)ClInChIKey: OPQRFPHLZZPCCH-PGMHBOJBSA-NInChI: 1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-
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胆酸甲酯CAS号: 1448-36-8分子式: C25H42O5 分子量: 422.61IUPAC Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateSMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CInChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-NInChI: 1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
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氧化型辅酶II 二钠(β-NADP-Na₂)分子式: C21H26N7Na2O17P3 分子量: 787.37IUPAC Name: See moreSMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O)C(=O)N.[Na+].[Na+]InChIKey: WSDDJLMGYRLUKR-WUEGHLCSSA-LInChI: See more
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