General Information of the Compound
| Compound ID |
CP0375065
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| Compound Name |
1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(pent-1-ynyl)thiophen-2-yl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H28Cl2N4OS
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| Molecular Weight |
515.51
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| Canonical SMILES |
CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C26H28Cl2N4OS/c1-3-5-7-10-19-12-14-23(34-19)25-20(4-2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-18(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33)
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| InChIKey |
OTFCHVZCYDGYMS-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