General Information of the Compound
| Compound ID |
CP0379174
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| Compound Name |
2-chloro-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-pyrrol-1-ylbenzamide
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| Structure |
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| Formula |
C20H15ClN4O4S2
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| Molecular Weight |
474.951
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| Canonical SMILES |
CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccc3)sc2c1
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| InChI |
InChI=1S/C20H15ClN4O4S2/c1-31(28,29)13-5-7-16-17(11-13)30-20(22-16)24-19(27)23-18(26)14-10-12(4-6-15(14)21)25-8-2-3-9-25/h2-11H,1H3,(H2,22,23,24,26,27)
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| InChIKey |
JZNJIBSGZUYYIU-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