General Information of the Compound
| Compound ID |
CP0883687
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| Compound Name |
(R)-(6-((Benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)(4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl)methanone
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| Structure |
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| Formula |
C22H21BrN4O2
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| Molecular Weight |
453.34
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| Canonical SMILES |
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc(Br)cc2)nn1
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| InChI |
InChI=1S/C22H21BrN4O2/c23-19-11-9-18(10-12-19)21-14-27(25-24-21)22(28)26-13-5-4-8-20(26)16-29-15-17-6-2-1-3-7-17/h1-4,6-12,14,20H,5,13,15-16H2/t20-/m1/s1
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| InChIKey |
WYYVDKJEJNNIGE-HXUWFJFHSA-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: PT02720, Monoacylglycerol lipase ABHD6