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canSAR1127213
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)CC1
    InChI
    InChI=1S/C21H26F3N5O2S2/c1-20(2,3)31-18(30)27-8-10-28(11-9-27)19(32)33-14-17-13-29(26-25-17)12-15-4-6-16(7-5-15)21(22,23)24/h4-7,13H,8-12,14H2,1-3H3
    MOLECULAR FORMULA
    C21H26F3N5O2S2
    CROSS REFERENCES
    1127213 logo

    canSAR1127213

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.15
    AlogP 4.42
    HBond donors 0
    HBond acceptors 7
    Atoms 59
    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 canSAR1127213.