General Information of the Compound
| Compound ID |
CP0397257
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| Compound Name |
2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C21H20F3N3O
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| Molecular Weight |
387.405
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| Canonical SMILES |
CCn1c(CC(=O)NCc2ccc(F)c(F)c2F)c(C)nc1-c1ccccc1
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| InChI |
InChI=1S/C21H20F3N3O/c1-3-27-17(13(2)26-21(27)14-7-5-4-6-8-14)11-18(28)25-12-15-9-10-16(22)20(24)19(15)23/h4-10H,3,11-12H2,1-2H3,(H,25,28)
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| InChIKey |
USMUJOYBPMHEPX-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7