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canSAR551031
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NAMES
    SMILES
    CNCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13.Cl
    InChI
    InChI=1S/C19H21N5O3.ClH/c1-21-7-8-22-10-2-3-11-15-14(10)19(27)17-13(26)5-4-12(25)16(17)18(15)23-24(11)9-6-20;/h2-5,21-22,25-26H,6-9,20H2,1H3;1H
    MOLECULAR FORMULA
    C19H22ClN5O3
    CROSS REFERENCES
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    canSAR551031

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.14
    AlogP 1.67
    HBond donors 6
    HBond acceptors 8
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR551031.