General Information of the Compound
| Compound ID |
CP0414075
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| Compound Name |
2-[5-cyclopropyl-3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C23H20N4O4S2
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| Molecular Weight |
480.571
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H20N4O4S2/c24-33(30,31)17-10-6-14(7-11-17)12-18-20(15-4-2-1-3-5-15)26-27(21(18)16-8-9-16)23-25-19(13-32-23)22(28)29/h1-7,10-11,13,16H,8-9,12H2,(H,28,29)(H2,24,30,31)
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| InChIKey |
KDZPSBDCJHROOD-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