General Information of the Compound
| Compound ID |
CP0449201
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| Compound Name |
3-[5-Chloro-3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-4-methyl-pyridine
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| Structure |
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| Formula |
C16H14ClN3O2S
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| Molecular Weight |
347.827
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| Canonical SMILES |
Cc1ccncc1-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C16H14ClN3O2S/c1-11-7-8-18-9-14(11)15-16(17)19-10-20(15)12-3-5-13(6-4-12)23(2,21)22/h3-10H,1-2H3
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| InChIKey |
HBYCORDMGMBVRU-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2