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canSAR2090577
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)N1CC[C@H]2O[C@H](C(=O)NCCc3ccccn3)CC[C@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H23N3O4S.C2HF3O2/c1-24(21,22)19-11-8-14-13(19)5-6-15(23-14)16(20)18-10-7-12-4-2-3-9-17-12;3-2(4,5)1(6)7/h2-4,9,13-15H,5-8,10-11H2,1H3,(H,18,20);(H,6,7)/t13-,14-,15+;/m1./s1
    MOLECULAR FORMULA
    C18H24F3N3O6S
    CROSS REFERENCES
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    canSAR2090577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.13
    AlogP 0.96
    HBond donors 2
    HBond acceptors 9
    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 canSAR2090577.