General Information of the Compound
| Compound ID |
CP0375062
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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
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| Structure |
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| Formula |
C27H30Cl2N4OS
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| Molecular Weight |
529.537
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| Canonical SMILES |
CCC\C=C\c1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
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| InChI |
InChI=1S/C27H30Cl2N4OS/c1-3-4-5-9-21-11-13-24(35-21)26-17(2)25(30-33(26)23-12-10-20(28)14-22(23)29)27(34)31-32-15-18-7-6-8-19(18)16-32/h5,9-14,18-19H,3-4,6-8,15-16H2,1-2H3,(H,31,34)/b9-5+
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| InChIKey |
FMCJCDCQEHZHJC-WEVVVXLNSA-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