canSAR1605036
FEATURES
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NAMES
    SMILES
    Cc1cccc(-c2nnn3c2nc(NCCC(C)C)c2ccccc23)c1
    InChI
    InChI=1S/C21H23N5/c1-14(2)11-12-22-20-17-9-4-5-10-18(17)26-21(23-20)19(24-25-26)16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)
    MOLECULAR FORMULA
    C21H23N5
    CROSS REFERENCES
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    canSAR1605036
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight345.20
    AlogP4.71
    HBond donors1
    HBond acceptors5
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1605036.