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canSAR1112204
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(C(=O)NC(=N)NC(=O)OCc3ccccc3)[nH]2)c1
    InChI
    InChI=1S/C27H30N6O6/c1-27(2,3)39-25(36)29-15-18-10-7-11-19(14-18)30-22(34)20-12-13-21(31-20)23(35)32-24(28)33-26(37)38-16-17-8-5-4-6-9-17/h4-14,31H,15-16H2,1-3H3,(H,29,36)(H,30,34)(H3,28,32,33,35,37)
    MOLECULAR FORMULA
    C27H30N6O6
    CROSS REFERENCES
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    canSAR1112204

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.22
    AlogP 3.88
    HBond donors 6
    HBond acceptors 12
    Atoms 69
    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 canSAR1112204.