General Information of the Compound
| Compound ID |
CP0050171
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| Compound Name |
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid
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| Structure |
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| Formula |
C22H15FN2O2
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| Molecular Weight |
358.372
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H15FN2O2/c23-18-7-5-14(6-8-18)19-13-20(15-1-3-17(4-2-15)22(26)27)25-21(19)16-9-11-24-12-10-16/h1-13,25H,(H,26,27)
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| InChIKey |
IOTPUQIURNWCBL-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