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canSAR1687443
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NAMES
    SMILES
    Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc2cc(Cl)ncc2[nH]1
    InChI
    InChI=1S/C26H22ClN5O/c1-16-2-5-20(12-21(16)25-30-22-13-24(27)29-15-23(22)31-25)26(33)32-10-8-19(9-11-32)18-6-3-17(14-28)4-7-18/h2-7,12-13,15,19H,8-11H2,1H3,(H,30,31)
    MOLECULAR FORMULA
    C26H22ClN5O
    CROSS REFERENCES
    1687443 logo

    canSAR1687443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.15
    AlogP 5.48
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    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 canSAR1687443.