General Information of the Compound
| Compound ID |
CP0082281
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| Compound Name |
7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl)-heptan-1-one
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| Structure |
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| Formula |
C20H21N3OS
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| Molecular Weight |
351.475
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nnc(s1)-c1ccccn1
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| InChI |
InChI=1S/C20H21N3OS/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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| InChIKey |
PVCCIDZCPLBVCC-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