466331 logo
canSAR466331
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc5ccccc5c4)cc3[C@@]1(C)CCN2CC1CC1
    InChI
    InChI=1S/C31H36N2O/c1-21-29-19-26-11-12-27(18-28(26)31(21,2)14-16-33(29)20-23-7-8-23)30(34)32-15-13-22-9-10-24-5-3-4-6-25(24)17-22/h3-6,9-12,17-18,21,23,29H,7-8,13-16,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
    MOLECULAR FORMULA
    C31H36N2O
    CROSS REFERENCES
    466331 logo

    canSAR466331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.28
    AlogP 5.75
    HBond donors 1
    HBond acceptors 3
    Atoms 70
    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 canSAR466331.