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canSAR1651314
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)cc1Cl
    InChI
    InChI=1S/C19H20ClN5O3/c1-28-14-7-6-12(9-13(14)20)22-16(26)10-24-11-21-18-17(19(24)27)23-15-5-3-2-4-8-25(15)18/h6-7,9,11H,2-5,8,10H2,1H3,(H,22,26)
    MOLECULAR FORMULA
    C19H20ClN5O3
    CROSS REFERENCES
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    canSAR1651314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.13
    AlogP 2.62
    HBond donors 1
    HBond acceptors 8
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651314.