1126276 logo
canSAR1126276
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1
    InChI
    InChI=1S/C27H33ClN2O6/c28-19-1-4-24-18(13-19)15-27(36-24)7-11-29(12-8-27)16-22(33)17-35-25-14-21(32)2-3-23(25)26(34)30-9-5-20(31)6-10-30/h1-4,13-14,20,22,31-33H,5-12,15-17H2/t22-/m0/s1
    MOLECULAR FORMULA
    C27H33ClN2O6
    CROSS REFERENCES
    1126276 logo

    canSAR1126276

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.20
    AlogP 2.85
    HBond donors 3
    HBond acceptors 8
    Atoms 69
    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 canSAR1126276.