General Information of the Compound
| Compound ID |
CP0462577
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| Compound Name |
1-(2,4-Dichlorophenyl)-4-methyl-5-[5-(3-phenoxyprop-1-ynyl)-thiophen-2-yl]-1H-pyrazole-3-carboxylic Acid Piperidin-1-ylamide
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| Structure |
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| Formula |
C29H26Cl2N4O2S
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| Molecular Weight |
565.526
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(s1)C#CCOc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C29H26Cl2N4O2S/c1-20-27(29(36)33-34-16-6-3-7-17-34)32-35(25-14-12-21(30)19-24(25)31)28(20)26-15-13-23(38-26)11-8-18-37-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,19H,3,6-7,16-18H2,1H3,(H,33,36)
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| InChIKey |
SYYJKQJOSWHETE-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