General Information of the Compound
| Compound ID |
CP0522905
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| Compound Name |
1-Benzyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-5,5-dimethyl-1,5-dihydro-imidazol-4-one
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| Structure |
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| Formula |
C28H23Cl3N4O
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| Molecular Weight |
537.878
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1Cc1ccccc1
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| InChI |
InChI=1S/C28H23Cl3N4O/c1-17-24(26-32-27(36)28(2,3)34(26)16-18-7-5-4-6-8-18)33-35(23-14-13-21(30)15-22(23)31)25(17)19-9-11-20(29)12-10-19/h4-15H,16H2,1-3H3
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| InChIKey |
OHRCIEPIHMBGNU-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2