General Information of the Compound
| Compound ID |
CP0138601
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| Compound Name |
7-Phenyl-1-(2-(pyridin-2-yl)-2H-tetrazol-5-yl)-heptan-1-one
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nnn(n1)-c1ccccn1
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| InChI |
InChI=1S/C19H21N5O/c25-17(13-7-2-1-4-10-16-11-5-3-6-12-16)19-21-23-24(22-19)18-14-8-9-15-20-18/h3,5-6,8-9,11-12,14-15H,1-2,4,7,10,13H2
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| InChIKey |
JHFDXAJGBOJJNL-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: PT04933, Diacylglycerol lipase-alpha
Protein ID: PT01099, Fatty-acid amide hydrolase 1