General Information of the Compound
| Compound ID |
CP0851732
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| Compound Name |
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)((2R,3R)-2-((benzyloxy)methyl)-3-hydroxy-3,6-dihydropyridin-1(2H)-yl)methanone
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| Structure |
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| Formula |
C28H26N4O3
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| Molecular Weight |
466.541
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| Canonical SMILES |
O=C(N1CC=C[C@@H](O)[C@H]1COCc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1
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| InChI |
InChI=1S/C28H26N4O3/c33-27-12-7-17-31(26(27)20-35-19-21-8-3-1-4-9-21)28(34)32-18-25(29-30-32)24-15-13-23(14-16-24)22-10-5-2-6-11-22/h1-16,18,26-27,33H,17,19-20H2/t26-,27-/m1/s1
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| InChIKey |
MWUCDNHGHRPWFU-KAYWLYCHSA-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