General Information of the Compound
| Compound ID |
CP0428944
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| Compound Name |
ethyl 4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H25Cl3N4O3
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| Molecular Weight |
535.859
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-10-19(11-13-31)29-24(33)22-15(2)23(16-4-6-17(26)7-5-16)32(30-22)21-9-8-18(27)14-20(21)28/h4-9,14,19H,3,10-13H2,1-2H3,(H,29,33)
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| InChIKey |
RNTZWPBPSNRYNF-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