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canSAR1863170
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NAMES
    SMILES
    COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(\C#N)S(=O)(=O)c3ccccc3)CC2)cc1
    InChI
    InChI=1S/C28H25N5O4S/c1-37-22-12-10-21(11-13-22)31-15-17-32(18-16-31)27-25(28(34)33-14-6-5-9-26(33)30-27)19-24(20-29)38(35,36)23-7-3-2-4-8-23/h2-14,19H,15-18H2,1H3/b24-19+
    MOLECULAR FORMULA
    C28H25N5O4S
    CROSS REFERENCES
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    canSAR1863170

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.16
    AlogP 3.37
    HBond donors 0
    HBond acceptors 9
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1863170.