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canSAR669257
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NAMES
    SMILES
    COc1cc(Cc2cnc(/N=C3\C(=O)N(CN4CCN(c5ccc(Cl)cc5)CC4)c4ccc(C)cc43)nc2N)cc(OC)c1OC
    InChI
    InChI=1S/C34H36ClN7O4/c1-21-5-10-27-26(15-21)30(33(43)42(27)20-40-11-13-41(14-12-40)25-8-6-24(35)7-9-25)38-34-37-19-23(32(36)39-34)16-22-17-28(44-2)31(46-4)29(18-22)45-3/h5-10,15,17-19H,11-14,16,20H2,1-4H3,(H2,36,37,39)/b38-30-
    MOLECULAR FORMULA
    C34H36ClN7O4
    CROSS REFERENCES
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    canSAR669257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 641.25
    AlogP 4.88
    HBond donors 2
    HBond acceptors 11
    Atoms 82
    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 canSAR669257.