General Information of the Compound
| Compound ID |
CP0503102
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| Compound Name |
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethylimidazol-4-yl]acetamide
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| Structure |
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| Formula |
C20H17ClF3N3O
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| Molecular Weight |
407.823
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| Canonical SMILES |
CCn1c(CC(=O)NCc2ccc(F)cc2Cl)cnc1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C20H17ClF3N3O/c1-2-27-15(11-26-20(27)16-6-5-14(23)8-18(16)24)9-19(28)25-10-12-3-4-13(22)7-17(12)21/h3-8,11H,2,9-10H2,1H3,(H,25,28)
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| InChIKey |
GCOZZVCERGFMEM-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7