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canSAR1408981
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NAMES
    SMILES
    COc1ccc(N2CCN(CCCNS(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1
    InChI
    InChI=1S/C22H33N5O4S/c1-18-22(21(31-24-18)10-13-25(2)3)32(28,29)23-11-5-12-26-14-16-27(17-15-26)19-6-8-20(30-4)9-7-19/h6-10,13,23H,5,11-12,14-17H2,1-4H3/b13-10+
    MOLECULAR FORMULA
    C22H33N5O4S
    CROSS REFERENCES
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    canSAR1408981

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.23
    AlogP 2.01
    HBond donors 1
    HBond acceptors 9
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1408981.