993694 logo
canSAR993694
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC(Oc1cnn(-c2ccc(C)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1
    InChI
    InChI=1S/C24H27N3O4/c1-3-4-22(18-7-9-19(10-8-18)24(30)25-14-13-23(28)29)31-21-15-26-27(16-21)20-11-5-17(2)6-12-20/h5-12,15-16,22H,3-4,13-14H2,1-2H3,(H,25,30)(H,28,29)
    MOLECULAR FORMULA
    C24H27N3O4
    CROSS REFERENCES
    993694 logo

    canSAR993694

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.20
    AlogP 4.31
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    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 canSAR993694.