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canSAR500394
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NAMES
    SMILES
    COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(C#N)ccc3[nH]2)CC1
    InChI
    InChI=1S/C25H29N5O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)22-17-20-16-19(18-26)8-9-21(20)28-22/h2-3,6-9,16-17,28H,4-5,10-15H2,1H3,(H,27,31)
    MOLECULAR FORMULA
    C25H29N5O2
    CROSS REFERENCES
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    canSAR500394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.23
    AlogP 3.38
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR500394.