General Information of the Compound
| Compound ID |
CP0849854
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| Compound Name |
4-(3-(4-bromostyryl)-5-fluorophenyl)pyridine
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| Structure |
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| Formula |
C19H13BrFN
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| Molecular Weight |
354.222
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| Canonical SMILES |
Fc1cc(/C=C/c2ccc(Br)cc2)cc(-c2ccncc2)c1
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| InChI |
InChI=1S/C19H13BrFN/c20-18-5-3-14(4-6-18)1-2-15-11-17(13-19(21)12-15)16-7-9-22-10-8-16/h1-13H/b2-1+
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| InChIKey |
JJNWGIGUWXSEBF-OWOJBTEDSA-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase
Protein ID: PT05184, Steroid 21-hydroxylase