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canSAR502181
FEATURES
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NAMES
    SMILES
    CC1CCN(C(=O)C(CCCN=C(N)N)NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(C(=O)O)C1
    InChI
    InChI=1S/C25H31N5O6S/c1-15-10-12-30(20(13-15)24(32)33)23(31)19(6-4-11-28-25(26)27)29-37(34,35)16-8-9-22-18(14-16)17-5-2-3-7-21(17)36-22/h2-3,5,7-9,14-15,19-20,29H,4,6,10-13H2,1H3,(H,32,33)(H4,26,27,28)
    MOLECULAR FORMULA
    C25H31N5O6S
    CROSS REFERENCES
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    canSAR502181

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.20
    AlogP 2.00
    HBond donors 6
    HBond acceptors 11
    Atoms 68
    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 canSAR502181.