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canSAR1977691
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NAMES
    SMILES
    CCc1ccc(NC(=O)CSc2nnc(-c3[nH]nc4ccccc34)n2-c2ccccc2)cc1
    InChI
    InChI=1S/C25H22N6OS/c1-2-17-12-14-18(15-13-17)26-22(32)16-33-25-30-29-24(31(25)19-8-4-3-5-9-19)23-20-10-6-7-11-21(20)27-28-23/h3-15H,2,16H2,1H3,(H,26,32)(H,27,28)
    MOLECULAR FORMULA
    C25H22N6OS
    CROSS REFERENCES
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    canSAR1977691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.16
    AlogP 5.10
    HBond donors 2
    HBond acceptors 7
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1977691.