1085788 logo
canSAR1085788
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCC1OC(=O)c2cc(NC(=O)c3ccccc3OCCO[N+](=O)[O-])ccc21
    InChI
    InChI=1S/C21H22N2O7/c1-2-3-7-19-15-10-9-14(13-17(15)21(25)30-19)22-20(24)16-6-4-5-8-18(16)28-11-12-29-23(26)27/h4-6,8-10,13,19H,2-3,7,11-12H2,1H3,(H,22,24)
    MOLECULAR FORMULA
    C21H22N2O7
    CROSS REFERENCES
    1085788 logo

    canSAR1085788

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.14
    AlogP 3.93
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    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 canSAR1085788.