canSAR1386942
FEATURES
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NAMES
    SMILES
    Cc1nc(CO[C@H]2CN(C(=O)c3cccn3C)[C@@H]3COC[C@H]32)cs1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H21N3O3S.C2HF3O2/c1-11-18-12(10-24-11)7-23-16-6-20(15-9-22-8-13(15)16)17(21)14-4-3-5-19(14)2;3-2(4,5)1(6)7/h3-5,10,13,15-16H,6-9H2,1-2H3;(H,6,7)
    MOLECULAR FORMULA
    C19H22F3N3O5S
    CROSS REFERENCES
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    canSAR1386942
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight461.12
    AlogP2.48
    HBond donors1
    HBond acceptors8
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1386942.