General Information of the Compound
| Compound ID |
CP0039500
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| Compound Name |
2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl)-5-fluoroisophthalonitrile
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| Synonyms |
M-PGES-1 inhibitors (inflammation), Merck & Co
M-PGES-1 inhibitors (inflammation), Merck Frosst
MK-7285
MK-886 derivatives (inflammation), Merck & Co
MK-886 derivatives (inflammation), Merck Frosst
Prostaglandin E2 synthase inhibitors (inflammation), Merck & Co
Prostaglandin E2 synthase inhibitors (inflammation), Merck Frosst
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| Structure |
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| Formula |
C32H27FN4O2
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| Molecular Weight |
518.592
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| Canonical SMILES |
CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cc(F)cc1C#N)C#N
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| InChI |
InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37)
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| InChIKey |
PYRKKGOKRMZEIT-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
Clinical Information about the Compound