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canSAR782600
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NAMES
    SMILES
    Nn1c(CCc2ccc(O)cc2)nnc1SCC(=O)N1N=C(c2cccs2)CC1c1ccc(F)cc1
    InChI
    InChI=1S/C25H23FN6O2S2/c26-18-8-6-17(7-9-18)21-14-20(22-2-1-13-35-22)30-32(21)24(34)15-36-25-29-28-23(31(25)27)12-5-16-3-10-19(33)11-4-16/h1-4,6-11,13,21,33H,5,12,14-15,27H2
    MOLECULAR FORMULA
    C25H23FN6O2S2
    CROSS REFERENCES
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    canSAR782600

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.13
    AlogP 4.15
    HBond donors 3
    HBond acceptors 8
    Atoms 59
    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 canSAR782600.