General Information of the Compound
| Compound ID |
CP0379503
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| Compound Name |
4-cyano-N-[(3,4-dichlorophenyl)methyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H15Cl2N5O
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| Molecular Weight |
436.302
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| Canonical SMILES |
Clc1ccc(CNC(=O)c2nn(c(c2C#N)-n2cccc2)-c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C22H15Cl2N5O/c23-18-9-8-15(12-19(18)24)14-26-21(30)20-17(13-25)22(28-10-4-5-11-28)29(27-20)16-6-2-1-3-7-16/h1-12H,14H2,(H,26,30)
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| InChIKey |
QILUOVIHJROTFV-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