114355 logo
canSAR114355
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)CC1CN(Cc2c(C)[nH]c(=O)c(I)c2Oc2cc(C)cc(C)c2)CCO1
    InChI
    InChI=1S/C23H29IN2O5/c1-5-29-20(27)11-18-12-26(6-7-30-18)13-19-16(4)25-23(28)21(24)22(19)31-17-9-14(2)8-15(3)10-17/h8-10,18H,5-7,11-13H2,1-4H3,(H,25,28)
    MOLECULAR FORMULA
    C23H29IN2O5
    CROSS REFERENCES
    114355 logo

    canSAR114355

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.11
    AlogP 3.85
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR114355.