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canSAR1447563
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NAMES
    SMILES
    COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1
    InChI
    InChI=1S/C33H38FN7O3/c1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3/h4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38)/t24-,29+/m1/s1
    MOLECULAR FORMULA
    C33H38FN7O3
    CROSS REFERENCES
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    canSAR1447563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.30
    AlogP 3.62
    HBond donors 2
    HBond acceptors 10
    Atoms 82
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1447563.