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canSAR1596330
FEATURES
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NAMES
    SMILES
    Cc1ccc(CN2C(=O)C(C)Nc3ncnc(N4CCN(c5ccccn5)CC4)c32)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C24H27N7O.C2HF3O2/c1-17-6-8-19(9-7-17)15-31-21-22(28-18(2)24(31)32)26-16-27-23(21)30-13-11-29(12-14-30)20-5-3-4-10-25-20;3-2(4,5)1(6)7/h3-10,16,18H,11-15H2,1-2H3,(H,26,27,28);(H,6,7)
    MOLECULAR FORMULA
    C26H28F3N7O3
    CROSS REFERENCES
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    canSAR1596330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.22
    AlogP 3.49
    HBond donors 2
    HBond acceptors 10
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596330.