General Information of the Compound
| Compound ID |
CP0456476
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| Compound Name |
US8754233, 4-(6-Methanesulfonyl-benzothiazol-2-yl)-5-methyl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C12H12N4O2S2
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| Molecular Weight |
308.388
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(C)(=O)=O
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| InChI |
InChI=1S/C12H12N4O2S2/c1-6-10(11(13)16-15-6)12-14-8-4-3-7(20(2,17)18)5-9(8)19-12/h3-5H,1-2H3,(H3,13,15,16)
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| InChIKey |
KZOFJXBFWNKTMY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound