General Information of the Compound
| Compound ID |
CP0462315
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| Compound Name |
2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]-N-(3-cyanophenyl)acetamide
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| Structure |
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| Formula |
C24H17N7OS
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| Molecular Weight |
451.515
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nsnc2c1
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| InChI |
InChI=1S/C24H17N7OS/c1-15-4-2-7-21(26-15)24-19(17-8-9-20-22(11-17)30-33-29-20)13-31(28-24)14-23(32)27-18-6-3-5-16(10-18)12-25/h2-11,13H,14H2,1H3,(H,27,32)
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| InChIKey |
UUNISKASUMHIFH-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