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canSAR782267
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NAMES
    SMILES
    O=C(NO)c1cnc(N2C[C@H]3CN(S(=O)(=O)c4ccc5ccccc5c4)C[C@H]3C2)nc1
    InChI
    InChI=1S/C21H21N5O4S/c27-20(24-28)16-8-22-21(23-9-16)25-10-17-12-26(13-18(17)11-25)31(29,30)19-6-5-14-3-1-2-4-15(14)7-19/h1-9,17-18,28H,10-13H2,(H,24,27)/t17-,18+
    MOLECULAR FORMULA
    C21H21N5O4S
    CROSS REFERENCES
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    canSAR782267

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.13
    AlogP 1.51
    HBond donors 2
    HBond acceptors 9
    Atoms 52
    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 canSAR782267.