General Information of the Compound
| Compound ID |
CP0428838
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| Compound Name |
2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C17H17F3N2O3S
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| Molecular Weight |
386.395
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N2O3S/c1-26(23,24)13-8-6-11(7-9-13)14-10-15(17(18,19)20)22-16(21-14)25-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3
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| InChIKey |
MVDDLZDKJHVWJY-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