小分子和化合物库

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4 项目

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  1. NVP-TNKS656
    CAS号 : 1419949-20-4        Compound CID : 136237316
    分子式: C27H34N4O5        分子量: 494.58
    IUPAC Name: N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
    SMILES: COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N(CC3CC3)CC4=NC5=C(COCC5)C(=O)N4
    InChIKey: DYGBNAYFDZEYBA-UHFFFAOYSA-N
    InChI: InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
  2. 帕米帕里布(BGB-290)
    CAS号 : 1446261-44-4        Compound CID : 135565554
    分子式: C16H15FN4O        分子量: 298.31
    IUPAC Name: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
    SMILES: CC12CCCN1CC3=NNC(=O)C4=C5C3=C2NC5=CC(=C4)F
    InChIKey: DENYZIUJOTUUNY-MRXNPFEDSA-N
    InChI: InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
  3. Tankyrase-IN-2
      规格或纯度 :
    • ≥99%
    CAS号 : 1588870-36-3        Compound CID : 136236981
    分子式: C17H14F2N2O2        分子量: 316.30
    IUPAC Name: 6,8-difluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-quinazolin-4-one
    SMILES: CC(C)(C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)C(=O)N2)O
    InChIKey: FHBYLOWAINBPRJ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-14-12(16(22)21-15)7-11(18)8-13(14)19/h3-8,23H,1-2H3,(H,20,21,22)
  4. K-756
      规格或纯度 :
    • ≥99%
    CAS号 : 130017-40-2        Compound CID : 14668434
    分子式: C24H27N5O3        分子量: 433.5
    IUPAC Name: 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
    SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CN4CC5=CC=CC=C5NC4=O)OC
    InChIKey: GWXCGEJJQFHPPA-UHFFFAOYSA-N
    InChI: InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)
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