General Information of the Compound
| Compound ID |
CP0463994
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| Compound Name |
2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-1-ethyl-5,5-dimethyl-1,5-dihydro-imidazol-4-one
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| Structure |
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| Formula |
C23H21Cl3N4O
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| Molecular Weight |
475.807
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| Canonical SMILES |
CCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H21Cl3N4O/c1-5-29-21(27-22(31)23(29,3)4)19-13(2)20(14-6-8-15(24)9-7-14)30(28-19)18-11-10-16(25)12-17(18)26/h6-12H,5H2,1-4H3
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| InChIKey |
CMTAWOLUHJMEIC-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