General Information of the Compound
| Compound ID |
CP0389453
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| Compound Name |
N-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]pentanoylsulfamoyl]phenyl]benzamide
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| Structure |
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| Formula |
C25H22ClN3O4S3
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| Molecular Weight |
560.122
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| Canonical SMILES |
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22ClN3O4S3/c1-2-6-22(35-25-28-20-15-17(26)9-14-21(20)34-25)24(31)29-36(32,33)19-12-10-18(11-13-19)27-23(30)16-7-4-3-5-8-16/h3-5,7-15,22H,2,6H2,1H3,(H,27,30)(H,29,31)
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| InChIKey |
OFWQXRRKNTZPHY-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