General Information of the Compound
| Compound ID |
CP0096778
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| Compound Name |
4-[5-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
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| Structure |
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| Formula |
C21H14ClFN2
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| Molecular Weight |
348.808
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| Canonical SMILES |
Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H14ClFN2/c22-17-5-1-15(2-6-17)20-13-19(14-3-7-18(23)8-4-14)21(25-20)16-9-11-24-12-10-16/h1-13,25H
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| InChIKey |
JIQRYIXFQANSEL-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