General Information of the Compound
| Compound ID |
CP0484268
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| Compound Name |
2-(5-(4-bromophenyl)-1H-pyrazol- 1-yl)isonicotinic acid
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| Synonyms |
2-(5-(4-bromophenyl)-1H-pyrazol- 1-yl)isonicotinic acid
2-[5-(4-bromophenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
BDBM263981
MITOFELVTHNBGA-UHFFFAOYSA-N
SCHEMBL15778753
US9714230, 46
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| Structure |
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| Formula |
C15H10BrN3O2
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| Molecular Weight |
344.168
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C15H10BrN3O2/c16-12-3-1-10(2-4-12)13-6-8-18-19(13)14-9-11(15(20)21)5-7-17-14/h1-9H,(H,20,21)
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| InChIKey |
MITOFELVTHNBGA-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
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B
Clinical Information about the Compound