500058 logo
canSAR500058
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1
    InChI
    InChI=1S/C29H33F7N2O/c1-18(2)27(26(39)37-17-19-13-22(28(31,32)33)15-23(14-19)29(34,35)36)10-7-25(16-27)38-11-8-21(9-12-38)20-3-5-24(30)6-4-20/h3-6,13-15,18,21,25H,7-12,16-17H2,1-2H3,(H,37,39)/t25-,27+/m1/s1
    MOLECULAR FORMULA
    C29H33F7N2O
    CROSS REFERENCES
    500058 logo

    canSAR500058

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.25
    AlogP 7.55
    HBond donors 1
    HBond acceptors 3
    Atoms 72
    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 canSAR500058.