General Information of the Compound
| Compound ID |
CP0412798
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| Compound Name |
1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H28Cl2N4O
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| Molecular Weight |
447.41
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| Canonical SMILES |
CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H28Cl2N4O/c1-4-5-6-7-10-16(2)26-22(30)21-17(3)23(28-13-8-9-14-28)29(27-21)20-12-11-18(24)15-19(20)25/h8-9,11-16H,4-7,10H2,1-3H3,(H,26,30)
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| InChIKey |
DOQRGXMYBKLLBR-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