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canSAR1270075
FEATURES
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NAMES
    SMILES
    C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O
    InChI
    InChI=1S/C24H27N5O2/c1-2-4-21-5-3-6-22(24(21)31)16-26-27-23(30)18-29-13-11-28(12-14-29)17-20-9-7-19(15-25)8-10-20/h2-3,5-10,16,31H,1,4,11-14,17-18H2,(H,27,30)/b26-16+
    MOLECULAR FORMULA
    C24H27N5O2
    CROSS REFERENCES
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    canSAR1270075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.22
    AlogP 2.26
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1270075.