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canSAR1767379
FEATURES
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NAMES
    SMILES
    Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C21H22F3N7O6S/c22-21(23,24)20(34)30-4-3-10-5-12(2-1-11(10)7-30)38(35,36)29-6-13-15(32)16(33)19(37-13)31-9-28-14-17(25)26-8-27-18(14)31/h1-2,5,8-9,13,15-16,19,29,32-33H,3-4,6-7H2,(H2,25,26,27)/t13-,15-,16-,19-/m1/s1
    MOLECULAR FORMULA
    C21H22F3N7O6S
    CROSS REFERENCES
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    canSAR1767379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.13
    AlogP -0.55
    HBond donors 5
    HBond acceptors 13
    Atoms 60
    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 canSAR1767379.