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canSAR112002
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NAMES
    SMILES
    O=C1C2=C(C(=O)c3ccccc31)N(Cc1ccccc1)CCc1c2[nH]c2ccccc12
    InChI
    InChI=1S/C27H20N2O2/c30-26-20-11-4-5-12-21(20)27(31)25-23(26)24-19(18-10-6-7-13-22(18)28-24)14-15-29(25)16-17-8-2-1-3-9-17/h1-13,28H,14-16H2
    MOLECULAR FORMULA
    C27H20N2O2
    CROSS REFERENCES
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    canSAR112002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.15
    AlogP 5.02
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112002.