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canSAR1508659
FEATURES
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NAMES
    SMILES
    CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1.O=P(O)(O)O
    InChI
    InChI=1S/C26H31Cl2N7O3.H3O4P/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-5(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);(H3,1,2,3,4)
    MOLECULAR FORMULA
    C26H34Cl2N7O7P
    CROSS REFERENCES
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    canSAR1508659

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.16
    AlogP 4.43
    HBond donors 5
    HBond acceptors 14
    Atoms 77
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1508659.