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canSAR919102
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NAMES
    SMILES
    CCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12
    InChI
    InChI=1S/C20H25N9/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3
    MOLECULAR FORMULA
    C20H25N9
    CROSS REFERENCES
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    canSAR919102

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.22
    AlogP 2.56
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    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 canSAR919102.