General Information of the Compound
| Compound ID |
CP0435521
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| Compound Name |
4'-{[3-(2-Methanesulfonyl-acetylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C23H23N3O5S
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| Molecular Weight |
453.52
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C23H23N3O5S/c1-31-23(28)19-7-4-3-6-18(19)17-11-9-16(10-12-17)14-25-22-20(8-5-13-24-22)26-21(27)15-32(2,29)30/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
WIFFLOZHWDVEPJ-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