General Information of the Compound
| Compound ID |
CP0372216
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| Compound Name |
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-4-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H21Cl3N4OS
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| Molecular Weight |
495.863
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
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| InChI |
InChI=1S/C22H21Cl3N4OS/c1-12-20(22(30)27-28-10-13-3-2-4-14(13)11-28)26-29(17-6-5-15(23)9-16(17)24)21(12)18-7-8-19(25)31-18/h5-9,13-14H,2-4,10-11H2,1H3,(H,27,30)
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| InChIKey |
FQCPRCTUZIOXEU-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