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canSAR2093966
FEATURES
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NAMES
    SMILES
    CC(C)CN1CC[C@H]2[C@@H](CC1)S(=O)(=O)CCN2C(=O)c1ccccc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H28N2O3S.C2HF3O2/c1-15(2)14-20-10-8-17-18(9-11-20)25(23,24)13-12-21(17)19(22)16-6-4-3-5-7-16;3-2(4,5)1(6)7/h3-7,15,17-18H,8-14H2,1-2H3;(H,6,7)/t17-,18+;/m0./s1
    MOLECULAR FORMULA
    C21H29F3N2O5S
    CROSS REFERENCES
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    canSAR2093966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.17
    AlogP 2.68
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    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 canSAR2093966.