canSAR1417672
FEATURES
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NAMES
    SMILES
    COc1cc(-c2nc3ncccn3c2Nc2ccc(C)cc2C)ccc1O
    InChI
    InChI=1S/C21H20N4O2/c1-13-5-7-16(14(2)11-13)23-20-19(24-21-22-9-4-10-25(20)21)15-6-8-17(26)18(12-15)27-3/h4-12,23,26H,1-3H3
    MOLECULAR FORMULA
    C21H20N4O2
    CROSS REFERENCES
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    canSAR1417672
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight360.16
    AlogP4.47
    HBond donors2
    HBond acceptors6
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417672.