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canSAR2087869
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H24N2O4S.C2HF3O2/c1-24(21,22)11-16(20)19-9-15-3-2-6-17(15,12-19)13-23-10-14-4-7-18-8-5-14;3-2(4,5)1(6)7/h4-5,7-8,15H,2-3,6,9-13H2,1H3;(H,6,7)/t15-,17+;/m1./s1
    MOLECULAR FORMULA
    C19H25F3N2O6S
    CROSS REFERENCES
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    canSAR2087869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.14
    AlogP 1.90
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    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 canSAR2087869.