小分子和化合物库
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土木香内酯CAS号: 546-43-0分子式: C15H20O2 分子量: 232.32IUPAC Name: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-oneSMILES: CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)CInChIKey: PXOYOCNNSUAQNS-AGNJHWRGSA-NInChI: 1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
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[Val5]-血管紧张素II醋酸盐水合物分子式: C49H69N13O12·xC2H4O2·yH2O 分子量: 1032.15IUPAC Name: See moreSMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)OInChIKey: JVCJXRGXGITABA-IAQGTVMASA-NInChI: See more
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促肾上腺皮质激素片段 1-24分子式: C136H210N40O31S 分子量: 2933.44IUPAC Name: See moreSMILES: See moreInChIKey: ZOEFCCMDUURGSE-SQKVDDBVSA-NInChI: See more
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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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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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胡蜂蜂毒肽 7CAS号: 145854-59-7分子式: C67H124N18O15 分子量: 1421.81IUPAC Name: See moreSMILES: CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)NInChIKey: HOLQXBRPSSZJMZ-FGRXCANLSA-NInChI: See more
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三七皂甙 R1CAS号: 80418-24-2分子式: C47H80O18 分子量: 933.14IUPAC Name: See moreSMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)CInChIKey: LLPWNQMSUYAGQI-OOSPGMBYSA-NInChI: See more
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CKI-7 盐酸盐CAS号: 1177141-67-1 Compound CID : 16078955分子式: C11H12ClN3O2S · 2HCl 分子量: 358.67IUPAC Name: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochlorideSMILES: C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl.Cl.ClInChIKey: JUAVTXYOCISSSL-UHFFFAOYSA-NInChI: 1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H
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