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canSAR1153251
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NAMES
    SMILES
    COC(=O)C1Cc2c([nH]c3ccccc23)C(c2c(CO)cnc(C)c2O)N1
    InChI
    InChI=1S/C20H21N3O4/c1-10-19(25)16(11(9-24)8-21-10)18-17-13(7-15(23-18)20(26)27-2)12-5-3-4-6-14(12)22-17/h3-6,8,15,18,22-25H,7,9H2,1-2H3
    MOLECULAR FORMULA
    C20H21N3O4
    CROSS REFERENCES
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    canSAR1153251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.15
    AlogP 1.85
    HBond donors 4
    HBond acceptors 7
    Atoms 48
    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 canSAR1153251.