1621457 logo
canSAR1621457
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCc2ccccc2)c1C.CN(C)C=O
    InChI
    InChI=1S/C18H20N2O4.C3H7NO/c1-11-16(13(3)21)12(2)20-17(11)18(23)24-10-15(22)19-9-14-7-5-4-6-8-14;1-4(2)3-5/h4-8,20H,9-10H2,1-3H3,(H,19,22);3H,1-2H3
    MOLECULAR FORMULA
    C21H27N3O5
    CROSS REFERENCES
    1621457 logo

    canSAR1621457

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.20
    AlogP 2.01
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621457.