General Information of the Compound
| Compound ID |
CP0343507
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| Compound Name |
4-[5-(4-tert-Butyl-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
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| Structure |
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| Formula |
C25H23FN2
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| Molecular Weight |
370.471
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H23FN2/c1-25(2,3)20-8-4-18(5-9-20)23-16-22(17-6-10-21(26)11-7-17)24(28-23)19-12-14-27-15-13-19/h4-16,28H,1-3H3
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| InChIKey |
DNCBGXXIJMEXST-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