General Information of the Compound
| Compound ID |
CP0373861
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(5-(hex-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 |
CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
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| InChI |
InChI=1S/C28H30Cl2N4OS/c1-3-4-5-6-10-22-12-14-25(36-22)27-18(2)26(31-34(27)24-13-11-21(29)15-23(24)30)28(35)32-33-16-19-8-7-9-20(19)17-33/h11-15,19-20H,3-5,7-9,16-17H2,1-2H3,(H,32,35)
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| InChIKey |
OVCBVNXWJQGESU-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