1017708 logo
canSAR1017708
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cc1
    InChI
    InChI=1S/C23H21N3O3/c1-16-24-14-15-25(16)18-4-2-17(3-5-18)22-12-8-20(9-13-23(28)29)26(22)19-6-10-21(27)11-7-19/h2-8,10-12,14-15,27H,9,13H2,1H3,(H,28,29)
    MOLECULAR FORMULA
    C23H21N3O3
    CROSS REFERENCES
    1017708 logo

    canSAR1017708

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.16
    AlogP 4.36
    HBond donors 2
    HBond acceptors 6
    Atoms 50
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1017708.