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canSAR1615912
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)N2CCC3(CCCN(C(=O)Nc4cccc(C#N)c4)C3)CC2)cc1
    InChI
    InChI=1S/C25H28N4O3/c1-32-22-8-6-20(7-9-22)23(30)28-14-11-25(12-15-28)10-3-13-29(18-25)24(31)27-21-5-2-4-19(16-21)17-26/h2,4-9,16H,3,10-15,18H2,1H3,(H,27,31)
    MOLECULAR FORMULA
    C25H28N4O3
    CROSS REFERENCES
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    canSAR1615912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.22
    AlogP 4.12
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR1615912.