General Information of the Compound
| Compound ID |
CP0530567
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| Compound Name |
2-(5-(4-chloro-3-methoxyphenyl)- 1H-pyrazol-1-yl)isonicotinic acid
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| Structure |
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| Formula |
C16H12ClN3O3
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| Molecular Weight |
329.743
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| Canonical SMILES |
COc1cc(ccc1Cl)-c1ccnn1-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C16H12ClN3O3/c1-23-14-8-10(2-3-12(14)17)13-5-7-19-20(13)15-9-11(16(21)22)4-6-18-15/h2-9H,1H3,(H,21,22)
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| InChIKey |
BEOSCPUYUHDKBT-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