canSAR540419
FEATURES
Loading...
NAMES
    SMILES
    CC(C)N(c1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(C(=O)NC3CCCC3)cc2C(=O)O)c1F)C(C)C.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C31H35F2N5O5.C2HF3O2/c1-16(2)38(17(3)4)26-24(32)29(42-21-11-7-8-18(14-21)27(34)35)37-30(25(26)33)43-23-13-12-19(15-22(23)31(40)41)28(39)36-20-9-5-6-10-20;3-2(4,5)1(6)7/h7-8,11-17,20H,5-6,9-10H2,1-4H3,(H3,34,35)(H,36,39)(H,40,41);(H,6,7)
    MOLECULAR FORMULA
    C33H36F5N5O7
    CROSS REFERENCES
    Loading...
    canSAR540419
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight709.25
    AlogP6.86
    HBond donors6
    HBond acceptors12
    Atoms86
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540419.