779599 logo
canSAR779599
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCNC(=O)NC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2(C)C
    InChI
    InChI=1S/C23H34F3N5O3S/c1-4-27-20(32)29-18-13-16-7-8-22(18,21(16,2)3)15-35(33,34)31-11-9-30(10-12-31)19-6-5-17(14-28-19)23(24,25)26/h5-6,14,16,18H,4,7-13,15H2,1-3H3,(H2,27,29,32)/t16-,18?,22-/m1/s1
    MOLECULAR FORMULA
    C23H34F3N5O3S
    CROSS REFERENCES
    779599 logo

    canSAR779599

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.23
    AlogP 3.07
    HBond donors 2
    HBond acceptors 8
    Atoms 69
    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 canSAR779599.