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canSAR2090281
FEATURES
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NAMES
    SMILES
    CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3nccs3)[C@@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H23N3O2S.C2HF3O2/c1-10(2)17-15(19)11-7-12-13(8-11)20-5-4-18(12)9-14-16-3-6-21-14;3-2(4,5)1(6)7/h3,6,10-13H,4-5,7-9H2,1-2H3,(H,17,19);(H,6,7)/t11-,12+,13+;/m0./s1
    MOLECULAR FORMULA
    C17H24F3N3O4S
    CROSS REFERENCES
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    canSAR2090281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.14
    AlogP 2.28
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR2090281.