199991 logo
canSAR199991
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1)c1ccccc1
    InChI
    InChI=1S/C27H26N2O4/c1-3-23(18-7-5-4-6-8-18)26(30)28-22-12-11-19-13-14-29(24(19)16-22)17-21-10-9-20(27(31)32)15-25(21)33-2/h4-16,23H,3,17H2,1-2H3,(H,28,30)(H,31,32)
    MOLECULAR FORMULA
    C27H26N2O4
    CROSS REFERENCES
    199991 logo

    canSAR199991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.19
    AlogP 5.53
    HBond donors 2
    HBond acceptors 6
    Atoms 59
    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 canSAR199991.