General Information of the Compound
| Compound ID |
CP0499830
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| Compound Name |
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-ethyl-5-methyl-2-phenylimidazol-4-yl)acetamide
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| Structure |
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| Formula |
C21H21ClFN3O
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| Molecular Weight |
385.87
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| Canonical SMILES |
CCn1c(CC(=O)NCc2ccc(F)cc2Cl)c(C)nc1-c1ccccc1
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| InChI |
InChI=1S/C21H21ClFN3O/c1-3-26-19(14(2)25-21(26)15-7-5-4-6-8-15)12-20(27)24-13-16-9-10-17(23)11-18(16)22/h4-11H,3,12-13H2,1-2H3,(H,24,27)
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| InChIKey |
MAFBWYMNMUYNHZ-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