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canSAR786128
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NAMES
    SMILES
    C[C@@]12O[C@@H](C[C@@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
    InChI
    InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m0/s1
    MOLECULAR FORMULA
    C26H19N3O5
    CROSS REFERENCES
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    canSAR786128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.13
    AlogP 3.57
    HBond donors 3
    HBond acceptors 8
    Atoms 53
    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 canSAR786128.