General Information of the Compound
| Compound ID |
CP0509122
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| Compound Name |
5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic acid benzyl ester
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| Structure |
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| Formula |
C23H17ClN2O2
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| Molecular Weight |
388.854
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc(C(=O)OCc2ccccc2)c([nH]1)-c1ccncc1
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| InChI |
InChI=1S/C23H17ClN2O2/c24-19-8-6-17(7-9-19)21-14-20(22(26-21)18-10-12-25-13-11-18)23(27)28-15-16-4-2-1-3-5-16/h1-14,26H,15H2
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| InChIKey |
NUQLHYTXBWXMJG-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
Protein ID: PT01473, Glucagon receptor
Protein ID: PT06074, Glucagon receptor