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canSAR1861427
FEATURES
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NAMES
    SMILES
    COC(=[OH+])C1=C(C)N=C(C)C(=C([O-])OC)C1c1cccc(OCCO[N+](=O)[O-])c1
    InChI
    InChI=1S/C19H22N2O8/c1-11-15(18(22)26-3)17(16(12(2)20-11)19(23)27-4)13-6-5-7-14(10-13)28-8-9-29-21(24)25/h5-7,10,17,22H,8-9H2,1-4H3
    MOLECULAR FORMULA
    C19H22N2O8
    CROSS REFERENCES
    1861427 logo

    canSAR1861427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.14
    AlogP 1.47
    HBond donors 1
    HBond acceptors 10
    Atoms 51
    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 canSAR1861427.