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canSAR1505498
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NAMES
    SMILES
    COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12
    InChI
    InChI=1S/C29H32F2N6O2/c1-35(2)26(38)18-36-15-12-20(13-16-36)19-6-9-22(10-7-19)32-29-33-28-24(5-4-14-37(28)34-29)23-11-8-21(27(30)31)17-25(23)39-3/h4-11,14,17,20,27H,12-13,15-16,18H2,1-3H3,(H,32,34)
    MOLECULAR FORMULA
    C29H32F2N6O2
    CROSS REFERENCES
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    canSAR1505498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.26
    AlogP 5.35
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    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 canSAR1505498.