小分子和化合物库

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  1. R-7128,核苷 HCV NS5B polymerase 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 940908-79-2        Compound CID : 16122663
    分子式: C18H26FN3O6        分子量: 399.41
    IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
    SMILES: CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C
    InChIKey: MLESJYFEMSJZLZ-MAAOGQSESA-N
    InChI: 1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1
  2. 雷洛昔芬盐酸盐
      规格或纯度 :
    • ≥98%
    CAS号: 82640-04-8        Compound CID : 54900
    分子式: C28H27NO4S·HCl        分子量: 510.04
    IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
    SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
    InChIKey: BKXVVCILCIUCLG-UHFFFAOYSA-N
    InChI: 1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H
  3. RGFP966,HDAC3抑制剂
      规格或纯度 :
    • ≥98%
    CAS号: 1396841-57-8        Compound CID : 56650312
    分子式: C21H19FN4O        分子量: 362.4
    IUPAC Name: (E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
    SMILES: C1=CC=C(C=C1)C=CCN2C=C(C=N2)C=CC(=O)NC3=C(C=C(C=C3)F)N
    InChIKey: BLVQHYHDYFTPDV-VCABWLAWSA-N
    InChI: 1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
  4. 牛磺脱氧胆酸二水合物
    CAS号: 117609-50-4        Compound CID : 71306862
    分子式: C26H49NO8S        分子量: 535.7
    IUPAC Name: 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid;dihydraSee more
    SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.O.O
    InChIKey: BNXLUNVCHFIPFY-GUBAPICVSA-N
    InChI: 1S/C26H45NO6S.2H2O/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);2*1H2/t16-,17+,18-,19See more
  5. (-)-东莨菪碱 氢溴酸盐 三水合物
      规格或纯度 :
    • ≥98%
    CAS号: 6533-68-2        Compound CID : 20055509
    分子式: C17H21NO4·HBr·3H2O        分子量: 438.31
    IUPAC Name: [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide
    SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br
    InChIKey: LACQPOBCQQPVIT-CQPQIMGBSA-N
    InChI: 1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11?,12-,13-,14+,15-,16+;;;;/m1..../s1
  6. 丹参酮IIA磺酸钠
    CAS号: 69659-80-9
    分子式: C19H17O6S · Na        分子量: 396.39
    IUPAC Name: sodium;1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonate
    SMILES: CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)[O-].[Na+]
    InChIKey: AZEZEAABTDXEHR-UHFFFAOYSA-M
    InChI: 1S/C19H18O6S.Na/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24;/h6-7H,4-5,8H2,1-3H3,(H,22,23,24);/q;+1/p-1
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