canSAR1387654
FEATURES
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NAMES
    SMILES
    O=C(Cc1cccs1)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H22N2O3S.C2HF3O2/c22-18(7-17-4-2-6-25-17)21-9-16-11-24-14-19(16,12-21)13-23-10-15-3-1-5-20-8-15;3-2(4,5)1(6)7/h1-6,8,16H,7,9-14H2;(H,6,7)
    MOLECULAR FORMULA
    C21H23F3N2O5S
    CROSS REFERENCES
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    canSAR1387654
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight472.13
    AlogP3.01
    HBond donors1
    HBond acceptors7
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387654.