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canSAR1004522
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NAMES
    SMILES
    COc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)c1
    InChI
    InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1
    MOLECULAR FORMULA
    C20H19N5O2
    CROSS REFERENCES
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    canSAR1004522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.15
    AlogP 3.45
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    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 canSAR1004522.