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canSAR562232
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NAMES
    SMILES
    CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1N1CCCCC1.Cl
    InChI
    InChI=1S/C22H25ClN4O2.ClH/c1-2-29-22(28)18-13-24-21-17(20(18)26-11-7-4-8-12-26)14-25-27(21)15-19(23)16-9-5-3-6-10-16;/h3,5-6,9-10,13-14,19H,2,4,7-8,11-12,15H2,1H3;1H
    MOLECULAR FORMULA
    C22H26Cl2N4O2
    CROSS REFERENCES
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    canSAR562232

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.14
    AlogP 5.00
    HBond donors 0
    HBond acceptors 6
    Atoms 56
    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 canSAR562232.