General Information of the Compound
| Compound ID |
CP0415437
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| Compound Name |
5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H28Cl2N4OS
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| Molecular Weight |
527.521
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C27H28Cl2N4OS/c1-18-25(27(34)31-32-15-5-2-6-16-32)30-33(23-13-10-20(28)17-22(23)29)26(18)24-14-12-21(35-24)11-9-19-7-3-4-8-19/h10,12-14,17,19H,2-8,15-16H2,1H3,(H,31,34)
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| InChIKey |
KZZWGXVRXBWXJW-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