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canSAR1724705
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NAMES
    SMILES
    C[C@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
    InChI
    InChI=1S/C21H22FN5O2S/c1-14-11-24-8-9-27(14)30(28,29)20-5-3-2-4-18(20)15-6-7-17(19(22)10-15)16-12-25-21(23)26-13-16/h2-7,10,12-14,24H,8-9,11H2,1H3,(H2,23,25,26)/t14-/m0/s1
    MOLECULAR FORMULA
    C21H22FN5O2S
    CROSS REFERENCES
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    canSAR1724705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.15
    AlogP 2.51
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1724705.