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canSAR1088514
FEATURES
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NAMES
    SMILES
    CCCCC1OC(=O)c2cc(NC(=O)c3ccccc3OCCCO[N+](=O)[O-])ccc21
    InChI
    InChI=1S/C22H24N2O7/c1-2-3-8-20-16-11-10-15(14-18(16)22(26)31-20)23-21(25)17-7-4-5-9-19(17)29-12-6-13-30-24(27)28/h4-5,7,9-11,14,20H,2-3,6,8,12-13H2,1H3,(H,23,25)
    MOLECULAR FORMULA
    C22H24N2O7
    CROSS REFERENCES
    1088514 logo

    canSAR1088514

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.16
    AlogP 4.32
    HBond donors 1
    HBond acceptors 9
    Atoms 55
    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 canSAR1088514.