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    Talazoparib

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    Talazoparib
    Also known as:
    Molecular Formula
    C19H14F2N6O
    Molecular Weight
    380.4  g/mol
    InChI Key
    IUEWAGVJRJORLA-HZPDHXFCSA-N
    1 2D Structure

    Talazoparib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1(13),5,7,9-tetraen-4-one
    2.1.2 InChI
    InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,25H,1H3,(H,26,28)/t15-,16-/m1/s1
    2.1.3 InChI Key
    IUEWAGVJRJORLA-HZPDHXFCSA-N
    2.1.4 Canonical SMILES
    CN1C(=NC=N1)C2C(N=C3C=C(C=C4C3=C2NNC4=O)F)C5=CC=C(C=C5)F
    2.1.5 Isomeric SMILES
    CN1C(=NC=N1)[C@@H]2[C@H](N=C3C=C(C=C4C3=C2NNC4=O)F)C5=CC=C(C=C5)F
    2.2 Create Date
    2010-03-15
    3 Chemical and Physical Properties
    Molecular Weight 380.4 g/mol
    Molecular Formula C19H14F2N6O
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass380.11971542 g/mol
    Monoisotopic Mass380.11971542 g/mol
    Topological Polar Surface Area84.2 A^2
    Heavy Atom Count28
    Formal Charge0
    Complexity826
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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