General Information of the Compound
| Compound ID |
CP0454981
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-ynyl)thiophen-2-yl)-N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-4-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H30Cl2N4OS
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| Molecular Weight |
541.548
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
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| InChI |
InChI=1S/C28H30Cl2N4OS/c1-17-25(27(35)32-33-15-18-6-5-7-19(18)16-33)31-34(23-10-8-20(29)14-22(23)30)26(17)24-11-9-21(36-24)12-13-28(2,3)4/h8-11,14,18-19H,5-7,15-16H2,1-4H3,(H,32,35)
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| InChIKey |
NFIWLNMDHVXQJS-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