小分子和化合物库
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莫西沙星盐酸盐一水合物CAS号: 192927-63-2分子式: C21H24FN3O4·HCl·H2O 分子量: 437.90(as Anhydrous)IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrate;hydrochlorideSMILES: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.O.ClInChIKey: SKZIMSDWAIZNDD-WJMOHVQJSA-NInChI: 1S/C21H24FN3O4.ClH.H2O/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H;1H2/t11-,16+;;/m0../s1
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反-对香豆酸甲酯CAS号: 19367-38-5分子式: C10H10O3 分子量: 178.19IUPAC Name: methyl (E)-3-(4-hydroxyphenyl)prop-2-enoateSMILES: COC(=O)C=CC1=CC=C(C=C1)OInChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-NInChI: 1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
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5-甲氧基黄酮CAS号: 42079-78-7分子式: C16H12O3 分子量: 252.27IUPAC Name: 5-methoxy-2-phenylchromen-4-oneSMILES: COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3InChIKey: XRQSPUXANRGDAV-UHFFFAOYSA-NInChI: 1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
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7-甲氧基黄酮CAS号: 22395-22-8分子式: C16H12O3 分子量: 252.27IUPAC Name: 7-methoxy-2-phenylchromen-4-oneSMILES: COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3InChIKey: QKNDCRMJDZLFEG-UHFFFAOYSA-NInChI: 1S/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
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米诺地尔CAS号: 38304-91-5分子式: C9H15N5O 分子量: 209.25IUPAC Name: 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amineSMILES: C1CCN(CC1)C2=NC(=N)N(C(=C2)N)OInChIKey: ZIMGGGWCDYVHOY-UHFFFAOYSA-NInChI: 1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
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7-甲氧基-4-甲基香豆素CAS号: 2555-28-4分子式: C11H10O3 分子量: 190.2IUPAC Name: 7-methoxy-4-methylchromen-2-oneSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCInChIKey: UDFPKNSWSYBIHO-UHFFFAOYSA-NInChI: 1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
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N-甲基-N-炔丙基苯甲胺CAS号: 555-57-7分子式: C11H13N 分子量: 159.23IUPAC Name: N-benzyl-N-methylprop-2-yn-1-amineSMILES: CN(CC#C)CC1=CC=CC=C1InChIKey: DPWPWRLQFGFJFI-UHFFFAOYSA-NInChI: 1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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