General Information of the Compound
| Compound ID |
CP0491341
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| Compound Name |
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H21ClF2N4O2
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| Molecular Weight |
470.907
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| Canonical SMILES |
COc1ccc(CCNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(F)cc2F)cc1Cl
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| InChI |
InChI=1S/C24H21ClF2N4O2/c1-15-22(23(32)28-10-9-16-5-8-21(33-2)18(25)13-16)29-31(24(15)30-11-3-4-12-30)20-7-6-17(26)14-19(20)27/h3-8,11-14H,9-10H2,1-2H3,(H,28,32)
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| InChIKey |
TYKSWSZGCUIWSH-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