General Information of the Compound
| Compound ID |
CP0460119
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2-yl)-N-hexyl-4-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H31Cl2N3OS
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| Molecular Weight |
516.538
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| Canonical SMILES |
CCCCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H31Cl2N3OS/c1-4-6-8-10-12-21-14-16-24(34-21)26-19(3)25(27(33)30-17-11-9-7-5-2)31-32(26)23-15-13-20(28)18-22(23)29/h13-16,18H,4-9,11,17H2,1-3H3,(H,30,33)
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| InChIKey |
ZEHUYBWWQFCQPB-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