canSAR1388105
FEATURES
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NAMES
    SMILES
    Cn1cccc1C(=O)N1C[C@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H21N3O2S.C2HF3O2/c1-20-6-2-3-14(20)18(22)21-8-12-7-15(23-16(12)9-21)17-19-13(10-24-17)11-4-5-11;3-2(4,5)1(6)7/h2-3,6,10-12,15-16H,4-5,7-9H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C20H22F3N3O4S
    CROSS REFERENCES
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    canSAR1388105
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight457.13
    AlogP3.59
    HBond donors1
    HBond acceptors7
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388105.