2050792 logo
canSAR2050792
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(CCC(=O)N(c2ccc(Br)cc2)C(C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1
    InChI
    InChI=1S/C30H32BrN3O5/c1-39-27-18-7-21(8-19-27)9-20-28(35)33(25-16-12-23(31)13-17-25)29(22-10-14-26(15-11-22)34(37)38)30(36)32-24-5-3-2-4-6-24/h7-8,10-19,24,29H,2-6,9,20H2,1H3,(H,32,36)
    MOLECULAR FORMULA
    C30H32BrN3O5
    CROSS REFERENCES
    2050792 logo

    canSAR2050792

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 593.15
    AlogP 6.52
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2050792.