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canSAR2096709
FEATURES
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NAMES
    SMILES
    Cn1c(N2CCO[C@@H](c3ccc(NS(=O)(=O)CCl)cc3)C2)nc(-c2ccncc2F)cc1=O
    InChI
    InChI=1S/C21H21ClFN5O4S/c1-27-20(29)10-18(16-6-7-24-11-17(16)23)25-21(27)28-8-9-32-19(12-28)14-2-4-15(5-3-14)26-33(30,31)13-22/h2-7,10-11,19,26H,8-9,12-13H2,1H3/t19-/m1/s1
    MOLECULAR FORMULA
    C21H21ClFN5O4S
    CROSS REFERENCES
    2096709 logo

    canSAR2096709

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.10
    AlogP 2.50
    HBond donors 1
    HBond acceptors 9
    Atoms 54
    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 canSAR2096709.