canSAR1809603
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)n1cc2c(n1)CN([C@H]1C[C@H](N)C(c3cc(F)ccc3F)N(Cc3cn[nH]c3)C1)C2
    InChI
    InChI=1S/C21H25F2N7O2S/c1-33(31,32)30-10-14-9-28(12-20(14)27-30)16-5-19(24)21(17-4-15(22)2-3-18(17)23)29(11-16)8-13-6-25-26-7-13/h2-4,6-7,10,16,19,21H,5,8-9,11-12,24H2,1H3,(H,25,26)/t16-,19-,21?/m0/s1
    MOLECULAR FORMULA
    C21H25F2N7O2S
    CROSS REFERENCES
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    canSAR1809603
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight477.18
    AlogP1.35
    HBond donors3
    HBond acceptors9
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809603.