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canSAR786584
FEATURES
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NAMES
    SMILES
    CC(C)=CCc1[nH]c2cc(N)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C21H26N4O2/c1-12(2)5-8-16-15(14-7-6-13(22)10-17(14)23-16)11-18-21(27)25-9-3-4-19(25)20(26)24-18/h5-7,10,18-19,23H,3-4,8-9,11,22H2,1-2H3,(H,24,26)/t18-,19-/m0/s1
    MOLECULAR FORMULA
    C21H26N4O2
    CROSS REFERENCES
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    canSAR786584

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 366.21
    AlogP 2.29
    HBond donors 4
    HBond acceptors 6
    Atoms 53
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR786584.