General Information of the Compound
| Compound ID |
CP0883718
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| Compound Name |
(4-([1,1'-Biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)((3R,6S)-6-((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(N1C[C@H](O)C=C[C@H]1COCc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1
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| InChI |
InChI=1S/C28H26N4O3/c33-26-16-15-25(20-35-19-21-7-3-1-4-8-21)31(17-26)28(34)32-18-27(29-30-32)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-16,18,25-26,33H,17,19-20H2/t25-,26+/m0/s1
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| InChIKey |
XIJZONOVYVLTTL-IZZNHLLZSA-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