General Information of the Compound
| Compound ID |
CP0850709
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| Compound Name |
2-{4-[4-Chloro-2-(pyridine-4-carbonyl)-phenylsulfamoyl]-phenyl}-pyrrole-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C27H24ClN3O5S
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| Molecular Weight |
538.025
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| Canonical SMILES |
CC(C)(C)OC(=O)n1cccc1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1
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| InChI |
InChI=1S/C27H24ClN3O5S/c1-27(2,3)36-26(33)31-16-4-5-24(31)18-6-9-21(10-7-18)37(34,35)30-23-11-8-20(28)17-22(23)25(32)19-12-14-29-15-13-19/h4-17,30H,1-3H3
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| InChIKey |
SAOHOXWCOCZCPH-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