988428 logo
canSAR988428
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(C(=O)c6ccc(C(F)(F)F)cc6)CC5)CC[C@@]43C)[C@@H]1CCC2=O
    InChI
    InChI=1S/C32H43F3N2O3/c1-29-13-14-31(40,19-23(29)7-8-24-25-9-10-27(38)30(25,2)12-11-26(24)29)20-36-15-17-37(18-16-36)28(39)21-3-5-22(6-4-21)32(33,34)35/h3-6,23-26,40H,7-20H2,1-2H3/t23-,24-,25-,26-,29-,30-,31+/m0/s1
    MOLECULAR FORMULA
    C32H43F3N2O3
    CROSS REFERENCES
    988428 logo

    canSAR988428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.32
    AlogP 5.81
    HBond donors 1
    HBond acceptors 5
    Atoms 83
    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 canSAR988428.