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canSAR784733
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NAMES
    SMILES
    CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(=O)O
    InChI
    InChI=1S/C25H31N3O5/c1-25(23(31)27-13-21(29)30,11-18-12-26-20-5-3-2-4-19(18)20)28-24(32)33-22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,12,14-17,22,26H,6-11,13H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t14-,15+,16-,17+,22?,25?
    MOLECULAR FORMULA
    C25H31N3O5
    CROSS REFERENCES
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    canSAR784733

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.23
    AlogP 3.22
    HBond donors 4
    HBond acceptors 8
    Atoms 64
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784733.