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canSAR1767340
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NAMES
    SMILES
    Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12
    InChI
    InChI=1S/C22H23ClF3N5O3S/c1-12-7-15(31-35(3,4)33)9-17-19(12)20(29-11-28-17)30-16-6-5-14(23)8-18(16)34-13(2)21(32)27-10-22(24,25)26/h5-9,11,13H,10H2,1-4H3,(H,27,32)(H,28,29,30)/t13-/m1/s1
    MOLECULAR FORMULA
    C22H23ClF3N5O3S
    CROSS REFERENCES
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    canSAR1767340

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.12
    AlogP 5.14
    HBond donors 2
    HBond acceptors 8
    Atoms 58
    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 canSAR1767340.