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canSAR1618301
FEATURES
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NAMES
    SMILES
    CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)c1
    InChI
    InChI=1S/C30H30N4O3/c1-20(35)22-6-5-7-24(16-22)32-25-12-13-26-27(17-25)28(30(37)33-29(26)36)18-31-23-10-8-21(9-11-23)19-34-14-3-2-4-15-34/h5-13,16-18,31-32H,2-4,14-15,19H2,1H3,(H,33,36,37)
    MOLECULAR FORMULA
    C30H30N4O3
    CROSS REFERENCES
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    canSAR1618301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.23
    AlogP 5.34
    HBond donors 3
    HBond acceptors 7
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1618301.