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canSAR558905
FEATURES
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NAMES
    SMILES
    N=C(N)c1ccc(CNC(=O)CN2C(=O)[C@@H](NS(=O)(=O)Cc3ccccc3)CSc3ccccc32)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H27N5O4S2.C2HF3O2/c27-25(28)20-12-10-18(11-13-20)14-29-24(32)15-31-22-8-4-5-9-23(22)36-16-21(26(31)33)30-37(34,35)17-19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-13,21,30H,14-17H2,(H3,27,28)(H,29,32);(H,6,7)/t21-;/m0./s1
    MOLECULAR FORMULA
    C28H28F3N5O6S2
    CROSS REFERENCES
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    canSAR558905

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 651.14
    AlogP 2.85
    HBond donors 6
    HBond acceptors 11
    Atoms 72
    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 canSAR558905.