General Information of the Compound
| Compound ID |
CP0080570
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| Compound Name |
2-(5-(4-(methylsulfonyl)phenyl)- 1H-pyrazol-1-yl)isonicotinic acid
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| Structure |
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| Formula |
C16H13N3O4S
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| Molecular Weight |
343.364
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccnn1-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C16H13N3O4S/c1-24(22,23)13-4-2-11(3-5-13)14-7-9-18-19(14)15-10-12(16(20)21)6-8-17-15/h2-10H,1H3,(H,20,21)
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| InChIKey |
HONRHPVMYYIRBL-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