837669 logo
canSAR837669
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)NCc2ccc3ncccc3c2)nn1
    InChI
    InChI=1S/C31H35F4N5O2/c1-5-6-9-25(26(41)18-42-30-28(34)22(32)14-23(33)29(30)35)40-17-27(38-39-40)31(4,15-19(2)3)37-16-20-10-11-24-21(13-20)8-7-12-36-24/h7-8,10-14,17,19,25,37H,5-6,9,15-16,18H2,1-4H3/t25?,31-/m0/s1
    MOLECULAR FORMULA
    C31H35F4N5O2
    CROSS REFERENCES
    837669 logo

    canSAR837669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.27
    AlogP 6.81
    HBond donors 1
    HBond acceptors 7
    Atoms 77
    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 canSAR837669.