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canSAR2204466
FEATURES
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NAMES
    SMILES
    CC/C=C\c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1
    InChI
    InChI=1S/C27H29F3N4O3S/c1-4-5-6-16-11-17(13-18(12-16)33-24-31-10-8-21(34-24)27(28,29)30)20-14-32-23(38-20)26(37)9-7-19(22(35)36)25(2,3)15-26/h5-6,8,10-14,19,37H,4,7,9,15H2,1-3H3,(H,35,36)(H,31,33,34)/b6-5-/t19-,26-/m1/s1
    MOLECULAR FORMULA
    C27H29F3N4O3S
    CROSS REFERENCES
    2204466 logo

    canSAR2204466

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.19
    AlogP 6.88
    HBond donors 3
    HBond acceptors 7
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2204466.