canSAR1531002
FEATURES
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NAMES
    SMILES
    COc1ccccc1/N=N/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(N(CCC#N)CCC#N)cc1OC
    InChI
    InChI=1S/C29H29N7O3/c1-21-10-12-22(13-11-21)29(37)35-34-28(33-32-25-8-4-5-9-26(25)38-2)24-15-14-23(20-27(24)39-3)36(18-6-16-30)19-7-17-31/h4-5,8-15,20H,6-7,18-19H2,1-3H3,(H,35,37)/b33-32+,34-28+
    MOLECULAR FORMULA
    C29H29N7O3
    CROSS REFERENCES
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    canSAR1531002
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight523.23
    AlogP5.52
    HBond donors1
    HBond acceptors10
    Atoms68
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1531002.