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canSAR1646851
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NAMES
    SMILES
    Cc1cccc(C)c1Nc1nnc(SCC(=O)C(C#N)c2nc3ccccc3[nH]2)s1
    InChI
    InChI=1S/C21H18N6OS2/c1-12-6-5-7-13(2)18(12)25-20-26-27-21(30-20)29-11-17(28)14(10-22)19-23-15-8-3-4-9-16(15)24-19/h3-9,14H,11H2,1-2H3,(H,23,24)(H,25,26)
    MOLECULAR FORMULA
    C21H18N6OS2
    CROSS REFERENCES
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    canSAR1646851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.10
    AlogP 4.74
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    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 canSAR1646851.