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canSAR115225
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NAMES
    SMILES
    Nc1cc2c(cc1C[C@@H]1COC(=O)[C@H]1Cc1cc3c(cc1N)OCO3)OCO2
    InChI
    InChI=1S/C20H20N2O6/c21-14-5-18-16(25-8-27-18)3-10(14)1-12-7-24-20(23)13(12)2-11-4-17-19(6-15(11)22)28-9-26-17/h3-6,12-13H,1-2,7-9,21-22H2/t12-,13+/m1/s1
    MOLECULAR FORMULA
    C20H20N2O6
    CROSS REFERENCES
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    canSAR115225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.13
    AlogP 1.88
    HBond donors 4
    HBond acceptors 8
    Atoms 48
    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 canSAR115225.