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canSAR112771
FEATURES
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NAMES
    SMILES
    Nc1nc(O)c2c(n1)CCC2CCCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
    InChI
    InChI=1S/C22H26N4O6/c23-22-25-15-9-8-13(18(15)20(30)26-22)3-1-2-12-4-6-14(7-5-12)19(29)24-16(21(31)32)10-11-17(27)28/h4-7,13,16H,1-3,8-11H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)
    MOLECULAR FORMULA
    C22H26N4O6
    CROSS REFERENCES
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    canSAR112771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.19
    AlogP 1.86
    HBond donors 6
    HBond acceptors 10
    Atoms 58
    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 canSAR112771.