General Information of the Compound
| Compound ID |
CP0914928
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| Compound Name |
2-{4-[4-Chloro-2-(pyridine-4-carbonyl)-phenylsulfamoyl]-phenyl}-indole-1-carboxylic acid tert-Butyl ester
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| Structure |
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| Formula |
C31H26ClN3O5S
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| Molecular Weight |
588.085
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| Canonical SMILES |
CC(C)(C)OC(=O)n1c(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)cc2ccccc21
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| InChI |
InChI=1S/C31H26ClN3O5S/c1-31(2,3)40-30(37)35-27-7-5-4-6-22(27)18-28(35)20-8-11-24(12-9-20)41(38,39)34-26-13-10-23(32)19-25(26)29(36)21-14-16-33-17-15-21/h4-19,34H,1-3H3
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| InChIKey |
UTPDYJUBTDFAOK-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