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canSAR558646
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NAMES
    SMILES
    COc1cccc(NC(=O)c2nc(N3CCN(c4ccncc4)CC3)ccc2Cl)c1
    InChI
    InChI=1S/C22H22ClN5O2/c1-30-18-4-2-3-16(15-18)25-22(29)21-19(23)5-6-20(26-21)28-13-11-27(12-14-28)17-7-9-24-10-8-17/h2-10,15H,11-14H2,1H3,(H,25,29)
    MOLECULAR FORMULA
    C22H22ClN5O2
    CROSS REFERENCES
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    canSAR558646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.15
    AlogP 3.72
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR558646.