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canSAR112296
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NAMES
    SMILES
    O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1
    InChI
    InChI=1S/C48H45Cl2N7O2/c49-34-15-19-36(20-16-34)52-42-31-43-45(57(37-21-17-35(50)18-22-37)44-14-4-3-13-40(44)53-43)32-41(42)51-23-26-55-29-27-54(28-30-55)24-5-1-2-6-25-56-47(58)38-11-7-9-33-10-8-12-39(46(33)38)48(56)59/h3-4,7-22,31-32,52H,1-2,5-6,23-30H2/b51-41-
    MOLECULAR FORMULA
    C48H45Cl2N7O2
    CROSS REFERENCES
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    canSAR112296

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 821.30
    AlogP 9.71
    HBond donors 1
    HBond acceptors 9
    Atoms 104
    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 canSAR112296.