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canSAR1955297
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1
    InChI
    InChI=1S/C21H27N3O8/c1-2-31-20(26)15-5-7-23(8-6-15)19(25)14-32-21(27)17-13-16(24(28)29)3-4-18(17)22-9-11-30-12-10-22/h3-4,13,15H,2,5-12,14H2,1H3
    MOLECULAR FORMULA
    C21H27N3O8
    CROSS REFERENCES
    1955297 logo

    canSAR1955297

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.18
    AlogP 1.39
    HBond donors 0
    HBond acceptors 11
    Atoms 59
    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 canSAR1955297.