General Information of the Compound
| Compound ID |
CP0415438
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(5-(3-(dimethylamino)prop-1-ynyl)-thiophen-2-yl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H27Cl2N5OS
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| Molecular Weight |
516.498
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| Canonical SMILES |
CN(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C25H27Cl2N5OS/c1-17-23(25(33)29-31-14-5-4-6-15-31)28-32(21-11-9-18(26)16-20(21)27)24(17)22-12-10-19(34-22)8-7-13-30(2)3/h9-12,16H,4-6,13-15H2,1-3H3,(H,29,33)
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| InChIKey |
PMRSQJWWRFFSLF-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