General Information of the Compound
| Compound ID |
CP0375063
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| Compound Name |
1-(2,4-Dichlorophenyl)-4-methyl-5-[((E)-5-pent-1-enyl)-thiophen-2-yl]-1H-pyrazole-3-carboxylic Acid Piperidin-1-ylamide
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| Synonyms |
PMID26161824-Compound-32
Pyrazole derivative 20
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| Structure |
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| Formula |
C25H28Cl2N4OS
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| Molecular Weight |
503.499
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| Canonical SMILES |
CCC\C=C\c1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C25H28Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h6,9-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32)/b9-6+
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| InChIKey |
IHFQVFSRVQQXSC-RMKNXTFCSA-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
Clinical Information about the Compound