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canSAR1092475
FEATURES
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NAMES
    SMILES
    O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2
    InChI
    InChI=1S/C23H30F3N3OS/c24-23(25,26)17-10-15-14-29(7-3-20(15)27-13-17)21(30)22-6-1-2-16(22)11-19(12-22)28-18-4-8-31-9-5-18/h10,13,16,18-19,28H,1-9,11-12,14H2/t16-,19-,22-/m1/s1
    MOLECULAR FORMULA
    C23H30F3N3OS
    CROSS REFERENCES
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    canSAR1092475

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.21
    AlogP 4.42
    HBond donors 1
    HBond acceptors 4
    Atoms 61
    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 canSAR1092475.