General Information of the Compound
| Compound ID |
CP0465953
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| Compound Name |
N-butyl-1-(2,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C19H20Cl2N4O
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| Molecular Weight |
391.302
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| Canonical SMILES |
CCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H20Cl2N4O/c1-3-4-9-22-18(26)17-13(2)19(24-10-5-6-11-24)25(23-17)16-8-7-14(20)12-15(16)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,26)
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| InChIKey |
ZOTYAJXIEVKGPQ-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