General Information of the Compound
| Compound ID |
CP0379173
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| Compound Name |
2-chloro-N-[[6-[3-(2-methoxyethylamino)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
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| Structure |
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| Formula |
C21H23ClN4O5S2
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| Molecular Weight |
511.025
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| Canonical SMILES |
COCCNCCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
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| InChI |
InChI=1S/C21H23ClN4O5S2/c1-31-11-10-23-9-4-12-33(29,30)14-7-8-17-18(13-14)32-21(24-17)26-20(28)25-19(27)15-5-2-3-6-16(15)22/h2-3,5-8,13,23H,4,9-12H2,1H3,(H2,24,25,26,27,28)
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| InChIKey |
JVGTZRLSBMROMC-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