canSAR2080612
FEATURES
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NAMES
    SMILES
    Cc1nc(CN2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H23N3O2S.2C2HF3O2/c1-13-20-15(12-24-13)10-21-8-9-22-18-16(21)5-6-17(18)23-11-14-4-2-3-7-19-14;2*3-2(4,5)1(6)7/h2-4,7,12,16-18H,5-6,8-11H2,1H3;2*(H,6,7)/t16-,17-,18+;;/m0../s1
    MOLECULAR FORMULA
    C22H25F6N3O6S
    CROSS REFERENCES
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    canSAR2080612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight573.14
    AlogP4.06
    HBond donors2
    HBond acceptors9
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080612.