General Information of the Compound
| Compound ID |
CP0526953
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| Compound Name |
N-[4-bromo-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-3-yl]-2-chlorobenzamide
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| Structure |
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| Formula |
C14H10BrClN4OS
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| Molecular Weight |
397.685
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| Canonical SMILES |
Cc1nc(cs1)-c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br
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| InChI |
InChI=1S/C14H10BrClN4OS/c1-7-17-10(6-22-7)12-11(15)13(20-19-12)18-14(21)8-4-2-3-5-9(8)16/h2-6H,1H3,(H2,18,19,20,21)
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| InChIKey |
JHEXJESEDYTEIN-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