canSAR638454
FEATURES
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NAMES
    SMILES
    O=C1CC2(CCC(O)(c3cccc4ccccc34)C(C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1
    InChI
    InChI=1S/C36H29NO4/c38-32-22-35(34(40)28-15-5-6-18-31(28)37-32)19-20-36(41,29-17-8-12-24-10-2-4-14-26(24)29)30(21-35)33(39)27-16-7-11-23-9-1-3-13-25(23)27/h1-18,30,41H,19-22H2,(H,37,38)
    MOLECULAR FORMULA
    C36H29NO4
    CROSS REFERENCES
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    canSAR638454
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight539.21
    AlogP7.08
    HBond donors2
    HBond acceptors5
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR638454.