2206422 logo
canSAR2206422
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)cc(C5CCC5)n4)cc3)c12
    InChI
    InChI=1S/C31H30F3N7O2/c32-31(33,34)21-14-23(17-2-1-3-17)37-24(15-21)38-30(43)19-6-4-18(5-7-19)26-27-28(35)36-12-13-40(27)29(39-26)20-8-9-22-10-11-25(42)41(22)16-20/h4-7,12-15,17,20,22H,1-3,8-11,16H2,(H2,35,36)(H,37,38,43)/t20-,22+/m1/s1
    MOLECULAR FORMULA
    C31H30F3N7O2
    CROSS REFERENCES
    2206422 logo

    canSAR2206422

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.24
    AlogP 5.78
    HBond donors 3
    HBond acceptors 9
    Atoms 73
    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 canSAR2206422.