General Information of the Compound
| Compound ID |
CP0396028
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| Compound Name |
4-[[2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]benzoic acid
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| Structure |
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| Formula |
C24H21N3O5S2
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| Molecular Weight |
495.582
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| Canonical SMILES |
Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2ccccc12
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| InChI |
InChI=1S/C24H21N3O5S2/c1-15-11-16(2)13-19(12-15)34(31,32)27-21-6-4-3-5-20(21)26-24(27)33-14-22(28)25-18-9-7-17(8-10-18)23(29)30/h3-13H,14H2,1-2H3,(H,25,28)(H,29,30)
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| InChIKey |
NPTAZCFEZGQOLN-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