General Information of the Compound
| Compound ID |
CP0415434
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| Compound Name |
5-(5-(Cyclohexylethynyl)thiophen-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 |
C30H32Cl2N4OS
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| Molecular Weight |
567.586
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(s1)C#CC1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
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| InChI |
InChI=1S/C30H32Cl2N4OS/c1-19-28(30(37)34-35-17-21-8-5-9-22(21)18-35)33-36(26-14-11-23(31)16-25(26)32)29(19)27-15-13-24(38-27)12-10-20-6-3-2-4-7-20/h11,13-16,20-22H,2-9,17-18H2,1H3,(H,34,37)
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| InChIKey |
UVLAMOAOUZDNJJ-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