828286 logo
canSAR828286
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1
    InChI
    InChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)28-16-23(34)10-12-26(28)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
    MOLECULAR FORMULA
    C32H27ClFN3O3
    CROSS REFERENCES
    828286 logo

    canSAR828286

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.17
    AlogP 6.26
    HBond donors 1
    HBond acceptors 6
    Atoms 67
    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 canSAR828286.