General Information of the Compound
| Compound ID |
CP0459053
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| Compound Name |
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-diethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H24Cl4N4O
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| Molecular Weight |
550.317
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| Canonical SMILES |
CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H24Cl4N4O/c1-4-17-7-8-18(5-2)33(17)26-15(3)24(32-34(26)19-9-11-21(28)23(30)13-19)25(35)31-14-16-6-10-20(27)22(29)12-16/h6-13H,4-5,14H2,1-3H3,(H,31,35)
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| InChIKey |
VMWZOMOQEMJIMP-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