2052686 logo
canSAR2052686
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1CCN(C)C(c2ccc(Nc3nc(-c4cccc(NC(=O)c5cc6c(s5)CCCC6)c4F)cn(C)c3=O)cc2)C1=O
    InChI
    InChI=1S/C32H33FN6O3S/c1-37-15-16-38(2)31(41)28(37)19-11-13-21(14-12-19)34-29-32(42)39(3)18-24(35-29)22-8-6-9-23(27(22)33)36-30(40)26-17-20-7-4-5-10-25(20)43-26/h6,8-9,11-14,17-18,28H,4-5,7,10,15-16H2,1-3H3,(H,34,35)(H,36,40)
    MOLECULAR FORMULA
    C32H33FN6O3S
    CROSS REFERENCES
    2052686 logo

    canSAR2052686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.23
    AlogP 4.97
    HBond donors 2
    HBond acceptors 9
    Atoms 76
    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 canSAR2052686.