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canSAR2015327
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]c3c(=O)n(N=C[C@H]4C(C)C=C(C)CC4C)c(=O)[nH]c3c2c1
    InChI
    InChI=1S/C21H22N4O3/c1-11-7-12(2)16(13(3)8-11)10-22-25-20(26)19-18(24-21(25)27)15-9-14(28-4)5-6-17(15)23-19/h5-7,9-10,12-13,16H,8H2,1-4H3/t12?,13?,16-/m0/s1
    MOLECULAR FORMULA
    C21H24N4O3
    CROSS REFERENCES
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    canSAR2015327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.18
    AlogP 3.25
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR2015327.