General Information of the Compound
| Compound ID |
CP0431800
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| Compound Name |
1-(4-chlorophenyl)-4-cyano-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C20H19ClN6O
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| Molecular Weight |
394.866
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| Canonical SMILES |
Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1
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| InChI |
InChI=1S/C20H19ClN6O/c21-15-6-8-16(9-7-15)27-20(25-10-4-5-11-25)17(14-22)18(23-27)19(28)24-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,24,28)
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| InChIKey |
QBWAJZHPSIDRDI-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