1429209 logo
canSAR1429209
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC/C=C(\CCC)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1
    InChI
    InChI=1S/C33H36NOP/c1-3-5-16-29(15-4-2)33(30-25-23-28(24-26-30)27-17-9-6-10-18-27)34-36(35,31-19-11-7-12-20-31)32-21-13-8-14-22-32/h6-14,16-26,33H,3-5,15H2,1-2H3,(H,34,35)/b29-16+
    MOLECULAR FORMULA
    C33H36NOP
    CROSS REFERENCES
    1429209 logo

    canSAR1429209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.25
    AlogP 8.44
    HBond donors 1
    HBond acceptors 2
    Atoms 72
    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 canSAR1429209.