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canSAR2095442
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2N1S(C)(=O)=O.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H20N4O4S.C2HF3O2/c1-16-14(20)12-7-11-8-18(9-13(11)19(12)24(2,22)23)15(21)10-3-5-17-6-4-10;3-2(4,5)1(6)7/h3-6,11-13H,7-9H2,1-2H3,(H,16,20);(H,6,7)/t11-,12-,13+;/m1./s1
    MOLECULAR FORMULA
    C17H21F3N4O6S
    CROSS REFERENCES
    2095442 logo

    canSAR2095442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.11
    AlogP -0.06
    HBond donors 2
    HBond acceptors 10
    Atoms 52
    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 canSAR2095442.