General Information of the Compound
| Compound ID |
CP0493955
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| Compound Name |
2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]-N-[(2,3,4-trifluorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C21H18F5N3O
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| Molecular Weight |
423.385
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| Canonical SMILES |
CCn1c(CC(=O)NCc2ccc(F)c(F)c2F)c(C)nc1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C21H18F5N3O/c1-3-29-17(11(2)28-21(29)14-6-5-13(22)8-16(14)24)9-18(30)27-10-12-4-7-15(23)20(26)19(12)25/h4-8H,3,9-10H2,1-2H3,(H,27,30)
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| InChIKey |
TXLMYBCBSWOLLO-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