General Information of the Compound
| Compound ID |
CP0278708
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| Compound Name |
4-(3-(4-fluorophenyl)-5-(4-(methylsulfinyl)phenyl)-1H-pyrrol-2-yl)pyridine
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| Structure |
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| Formula |
C22H17FN2OS
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| Molecular Weight |
376.456
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| Canonical SMILES |
CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-2-6-18(23)7-3-15)22(25-21)17-10-12-24-13-11-17/h2-14,25H,1H3
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| InChIKey |
MHSKRZAFVKHGJT-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