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canSAR126960
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21
    InChI
    InChI=1S/C28H23FN4O3S2/c29-21-6-3-18(4-7-21)19-5-8-22-24(16-32(25(22)14-19)12-13-38(30,35)36)27(34)23-9-11-33-26(23)17-37-28(33)20-2-1-10-31-15-20/h1-11,14-16,28H,12-13,17H2,(H2,30,35,36)/t28-/m1/s1
    MOLECULAR FORMULA
    C28H23FN4O3S2
    CROSS REFERENCES
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    canSAR126960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.12
    AlogP 4.96
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR126960.