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canSAR1522810
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NAMES
    SMILES
    COc1ccc(-c2csc(N/N=C\c3cccc(/C=N/Nc4nc(-c5ccc(OC)cc5)cs4)c3)n2)cc1
    InChI
    InChI=1S/C28H24N6O2S2/c1-35-23-10-6-21(7-11-23)25-17-37-27(31-25)33-29-15-19-4-3-5-20(14-19)16-30-34-28-32-26(18-38-28)22-8-12-24(36-2)13-9-22/h3-18H,1-2H3,(H,31,33)(H,32,34)/b29-15-,30-16+
    MOLECULAR FORMULA
    C28H24N6O2S2
    CROSS REFERENCES
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    canSAR1522810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.14
    AlogP 6.84
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    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 canSAR1522810.