General Information of the Compound
| Compound ID |
CP0493954
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| Compound Name |
N-[(3-chloro-2-methylphenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide
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| Structure |
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| Formula |
C22H22ClF2N3O
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| Molecular Weight |
417.887
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| Canonical SMILES |
CCn1c(CC(=O)NCc2cccc(Cl)c2C)c(C)nc1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C22H22ClF2N3O/c1-4-28-20(11-21(29)26-12-15-6-5-7-18(23)13(15)2)14(3)27-22(28)17-9-8-16(24)10-19(17)25/h5-10H,4,11-12H2,1-3H3,(H,26,29)
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| InChIKey |
QGGIEEFOSPUOQF-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