小分子和化合物库
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辛伐他汀CAS号: 79902-63-9 Compound CID : 54454分子式: C25H38O5 分子量: 418.57IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoateSMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: RYMZZMVNJRMUDD-HGQWONQESA-NInChI: 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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盐酸沙氟沙星CAS号: 91296-87-6 Compound CID : 56207分子式: C20H17F2N3O3·HCl 分子量: 421.83IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochlorideSMILES: C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.ClInChIKey: KNWODGJQLCISLC-UHFFFAOYSA-NInChI: 1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
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三唑磷分子式: C12H16N3O3PS 分子量: 313.31IUPAC Name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-λ5-phosphaneSMILES: CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2InChIKey: AMFGTOFWMRQMEM-UHFFFAOYSA-NInChI: 1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
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胸腺五肽CAS号: 69558-55-0分子式: C30H49N9O9 分子量: 679.76IUPAC Name: See moreSMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NInChIKey: PSWFFKRAVBDQEG-YGQNSOCVSA-NInChI: See more
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1,3,5-三-O-苯甲酰基-α-D-呋喃核糖CAS号: 22224-41-5 Compound CID : 11005061分子式: C26H22O8 分子量: 462.45IUPAC Name: [(2R,3S,4R,5R)-3,5-dibenzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoateSMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4InChIKey: HUHVPBKTTFVAQF-PIXQIBFHSA-NInChI: 1S/C26H22O8/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26-27H,16H2/t20-,21-,22-,26-/m1/s1
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硫酸长春碱分子式: C46H58N4O9·H2SO4 分子量: 909.05IUPAC Name: See moreSMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)OInChIKey: KDQAABAKXDWYSZ-JKDPCDLQSA-NInChI: See more
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Urocortin,大鼠CAS号: 171543-83-2 Compound CID : 137699472分子式: C206H338N62O64 分子量: 4707.26IUPAC Name: See moreSMILES: See moreInChIKey: BTOGVDGOXGIAEB-FJAJBMFWSA-NInChI: See more
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黄腐酚分子式: C21H22O5 分子量: 354.4IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-oneSMILES: CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)CInChIKey: ORXQGKIUCDPEAJ-YRNVUSSQSA-NInChI: 1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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[HYP3]-缓激肽CAS号: 37642-65-2分子式: C50H73N15O12 分子量: 1076.21IUPAC Name: See moreSMILES: C1CC(N(C1)C(=O)C(CCCN=C(N)N)N)C(=O)N2CC(CC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O)OInChIKey: JXRLHZCEMXTCBN-DIBGMJQNSA-NInChI: See more
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4-酪氨酸蛙皮素CAS号: 67338-70-9分子式: C74H108N24O19S 分子量: 1669.86IUPAC Name: See moreSMILES: See moreInChIKey: INDKYGYVKJQGBR-MMJACTKGSA-NInChI: See more
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