General Information of the Compound
| Compound ID |
CP0459491
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| Compound Name |
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(4-cyanopyridin-3-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C24H22ClN5O2
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| Molecular Weight |
447.926
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| Canonical SMILES |
Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cnccc3C#N)c2)cc1
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| InChI |
InChI=1S/C24H22ClN5O2/c25-20-4-6-21(7-5-20)32-22-3-1-2-18(14-22)17-29-10-12-30(13-11-29)24(31)28-23-16-27-9-8-19(23)15-26/h1-9,14,16H,10-13,17H2,(H,28,31)
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| InChIKey |
JYZMCRJMGYINOA-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: PT00961, Fatty-acid amide hydrolase 1
Protein ID: PT01099, Fatty-acid amide hydrolase 1