canSAR419791
FEATURES
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NAMES
    SMILES
    O=C(NCCCc1ccccc1)c1cc2c3c(ccc2[nH]1)OCC(CNCCCc1ccccc1)O3
    InChI
    InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
    MOLECULAR FORMULA
    C30H33N3O3
    CROSS REFERENCES
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    canSAR419791
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight483.25
    AlogP4.89
    HBond donors3
    HBond acceptors6
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR419791.