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canSAR1587979
FEATURES
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NAMES
    SMILES
    N=C(N)c1ccc(CNC(=O)CN2C(=O)C(NC(=O)CCC(=O)O)CSc3ccccc32)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C23H25N5O5S.C2HF3O2/c24-22(25)15-7-5-14(6-8-15)11-26-20(30)12-28-17-3-1-2-4-18(17)34-13-16(23(28)33)27-19(29)9-10-21(31)32;3-2(4,5)1(6)7/h1-8,16H,9-13H2,(H3,24,25)(H,26,30)(H,27,29)(H,31,32);(H,6,7)/t16-;/m1./s1
    MOLECULAR FORMULA
    C25H26F3N5O7S
    CROSS REFERENCES
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    canSAR1587979

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.15
    AlogP 1.71
    HBond donors 7
    HBond acceptors 12
    Atoms 67
    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 canSAR1587979.