777082 logo
canSAR777082
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(O)ccc1-c1ccccc1
    InChI
    InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)28-17-25(37)11-13-26(28)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
    MOLECULAR FORMULA
    C32H28ClN3O4
    CROSS REFERENCES
    777082 logo

    canSAR777082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.18
    AlogP 5.83
    HBond donors 2
    HBond acceptors 7
    Atoms 68
    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 canSAR777082.