canSAR1386952
FEATURES
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NAMES
    SMILES
    Cc1csc([C@@H]2C[C@@H]3CN(Cc4cc(C)on4)CC[C@H]3O2)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H21N3O2S.C2HF3O2/c1-10-9-22-16(17-10)15-6-12-7-19(4-3-14(12)20-15)8-13-5-11(2)21-18-13;3-2(4,5)1(6)7/h5,9,12,14-15H,3-4,6-8H2,1-2H3;(H,6,7)
    MOLECULAR FORMULA
    C18H22F3N3O4S
    CROSS REFERENCES
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    canSAR1386952
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight433.13
    AlogP3.73
    HBond donors1
    HBond acceptors7
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1386952.