General Information of the Compound
| Compound ID |
CP0506592
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| Compound Name |
2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-pyrazol-3-yl]-1,5,5-trimethyl-1,5-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 |
CN1C(=NC(=O)C1(C)C)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H17Cl3N4O/c1-21(2)20(29)25-19(27(21)3)16-11-18(12-4-6-13(22)7-5-12)28(26-16)17-9-8-14(23)10-15(17)24/h4-11H,1-3H3
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| InChIKey |
CWVYIGTYSQZSBO-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