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canSAR2083702
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NAMES
    SMILES
    CC[C@@H]1N(Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2C.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H26N2OS.C2HF3O2/c1-4-15-17(10-8-16(20)18(17)3)9-5-11-19(15)12-14-7-6-13(2)21-14;3-2(4,5)1(6)7/h6-7,15H,4-5,8-12H2,1-3H3;(H,6,7)/t15-,17-;/m0./s1
    MOLECULAR FORMULA
    C19H27F3N2O3S
    CROSS REFERENCES
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    canSAR2083702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.17
    AlogP 4.06
    HBond donors 1
    HBond acceptors 5
    Atoms 55
    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 canSAR2083702.