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canSAR2096006
FEATURES
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NAMES
    SMILES
    CN(C)S(=O)(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C14H21N3O4S.C2HF3O2/c1-16(2)22(18,19)17-7-5-14(11-17)8-13(10-20-14)21-12-4-3-6-15-9-12;3-2(4,5)1(6)7/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3;(H,6,7)/t13-,14+;/m1./s1
    MOLECULAR FORMULA
    C16H22F3N3O6S
    CROSS REFERENCES
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    canSAR2096006

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.12
    AlogP 1.13
    HBond donors 1
    HBond acceptors 9
    Atoms 51
    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 canSAR2096006.