General Information of the Compound
| Compound ID |
CP0409237
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| Compound Name |
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)sulfonyl-2-phenylacetamide
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| Structure |
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| Formula |
C21H14ClN3O5S3
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| Molecular Weight |
520.013
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
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| InChI |
InChI=1S/C21H14ClN3O5S3/c22-14-6-11-18-17(12-14)23-21(31-18)32-19(13-4-2-1-3-5-13)20(26)24-33(29,30)16-9-7-15(8-10-16)25(27)28/h1-12,19H,(H,24,26)
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| InChIKey |
WDCWBKBCOONBOQ-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