General Information of the Compound
| Compound ID |
CP0398571
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| Compound Name |
2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1Hpyrazol-3-yl]-5,5-dimethyl-3,5-dihydro-imidazol-4-one
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| Structure |
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| Formula |
C21H17Cl3N4O
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| Molecular Weight |
447.753
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1
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| InChI |
InChI=1S/C21H17Cl3N4O/c1-11-17(19-25-20(29)21(2,3)26-19)27-28(16-9-8-14(23)10-15(16)24)18(11)12-4-6-13(22)7-5-12/h4-10H,1-3H3,(H,25,26,29)
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| InChIKey |
HDMBJOMYKUDPRX-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