canSAR1830243
FEATURES
Loading...
NAMES
    SMILES
    CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO
    InChI
    InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32-,45-/m1/s1
    MOLECULAR FORMULA
    C36H41N5O3S
    CROSS REFERENCES
    Loading...
    canSAR1830243
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight623.29
    AlogP5.52
    HBond donors2
    HBond acceptors8
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830243.