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canSAR2084592
FEATURES
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NAMES
    SMILES
    CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)Cc3ccsc3)[C@@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H24N2O2S.C2HF3O2/c1-3-17-9-13-14(10-17)18(6-4-15(13)20-2)16(19)8-12-5-7-21-11-12;3-2(4,5)1(6)7/h5,7,11,13-15H,3-4,6,8-10H2,1-2H3;(H,6,7)/t13-,14+,15-;/m0./s1
    MOLECULAR FORMULA
    C18H25F3N2O4S
    CROSS REFERENCES
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    canSAR2084592

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.15
    AlogP 2.49
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR2084592.