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canSAR839792
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NAMES
    SMILES
    Cc1ncccc1C(C#N)N1CCN(C(=O)[C@H](CO)NC(c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C28H31N5O2/c1-21-24(13-8-14-30-21)26(19-29)32-15-17-33(18-16-32)28(35)25(20-34)31-27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,25-27,31,34H,15-18,20H2,1H3/t25-,26?/m0/s1
    MOLECULAR FORMULA
    C28H31N5O2
    CROSS REFERENCES
    839792 logo

    canSAR839792

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.25
    AlogP 2.84
    HBond donors 2
    HBond acceptors 7
    Atoms 66
    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 canSAR839792.