canSAR1387856
FEATURES
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NAMES
    SMILES
    COCCn1cc2c(n1)C(CNCc1ccsc1)OCC2.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H21N3O2S.C2HF3O2/c1-19-6-4-18-10-13-2-5-20-14(15(13)17-18)9-16-8-12-3-7-21-11-12;3-2(4,5)1(6)7/h3,7,10-11,14,16H,2,4-6,8-9H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C17H22F3N3O4S
    CROSS REFERENCES
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    canSAR1387856
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight421.13
    AlogP2.63
    HBond donors2
    HBond acceptors7
    Atoms50
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387856.