General Information of the Compound
| Compound ID |
CP0323367
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| Compound Name |
2-methylsulfonyl-2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(3-sulfamoylpropyl)acetamide
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| Structure |
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| Formula |
C19H21N3O5S3
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| Molecular Weight |
467.594
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| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C19H21N3O5S3/c1-29(24,25)17(18(23)21-10-5-11-30(20,26)27)19-22-15-9-8-14(12-16(15)28-19)13-6-3-2-4-7-13/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,23)(H2,20,26,27)
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| InChIKey |
TXKYIOBIJZLNPO-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