General Information of the Compound
| Compound ID |
CP0465951
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-tert-pentyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H26Cl2N4O
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| Molecular Weight |
433.383
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| Canonical SMILES |
CCC(C)(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H26Cl2N4O/c1-7-22(5,6)25-20(29)19-15(4)21(27-13(2)8-9-14(27)3)28(26-19)18-11-10-16(23)12-17(18)24/h8-12H,7H2,1-6H3,(H,25,29)
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| InChIKey |
XQGJEFOMDMDKQT-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