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canSAR1589660
FEATURES
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NAMES
    SMILES
    Cc1cc(N=S2(=O)CCCC2)cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)N3CCS(=O)CC3)c12
    InChI
    InChI=1S/C26H30FN5O4S2/c1-17-13-20(31-38(35)11-3-4-12-38)15-22-24(17)25(29-16-28-22)30-21-6-5-19(27)14-23(21)36-18(2)26(33)32-7-9-37(34)10-8-32/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,28,29,30)/t18-/m1/s1
    MOLECULAR FORMULA
    C26H30FN5O4S2
    CROSS REFERENCES
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    canSAR1589660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.17
    AlogP 4.07
    HBond donors 1
    HBond acceptors 9
    Atoms 68
    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 canSAR1589660.