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Clopidogrel hydrogensulfateCAS号: 135046-48-9 Compound CID : 16757820分子式: C16H16ClNO2S · H2SO4 分子量: 419.9IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acidSMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)OInChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-NInChI: 1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)
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脱羰秋水仙碱分子式: C21H25NO5 分子量: 371.43IUPAC Name: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-oneSMILES: CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OCInChIKey: NNJPGOLRFBJNIW-HNNXBMFYSA-NInChI: 1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
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鹰嘴豆醇IUPAC Name: (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)OInChIKey: VRTGGIJPIYOHGT-LSDHHAIUSA-NInChI: 1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1
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Glyceryl 1，3-dipalmitate分子式: C35H68O5 分子量: 568.91IUPAC Name: (3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OInChIKey: GFAZGHREJPXDMH-UHFFFAOYSA-NInChI: 1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
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杨梅醇CAS号: 33606-81-4 Compound CID : 161779IUPAC Name: (9R)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triolSMILES: COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)OInChIKey: SBGBAZQAEOWGFT-OAHLLOKOSA-NInChI: 1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3/t15-/m1/s1
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3-Deazaneplanocin A hydrochlorideCAS号: 120964-45-6 Compound CID : 14563109分子式: C12H14N4O3 · HCl 分子量: 298.73IUPAC Name: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochlorideSMILES: C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.ClInChIKey: UNSKMHKAFPRFTI-FDKLLANESA-NInChI: 1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
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JNJ-26481585CAS号: 875320-29-9 Compound CID : 11538455分子式: C21H26N6O2 分子量: 394.476IUPAC Name: N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamideSMILES: CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NOInChIKey: PAWIYAYFNXQGAP-UHFFFAOYSA-NInChI: 1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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乳胞素CAS号: 133343-34-7 Compound CID : 6610292分子式: C15H24N2O7S 分子量: 376.425IUPAC Name: (2R)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acidSMILES: CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)OInChIKey: DAQAKHDKYAWHCG-RWTHQLGUSA-NInChI: 1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
