General Information of the Compound
| Compound ID |
CP0906759
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| Compound Name |
(R)-(3-([1,1'-Biphenyl]-4-yl)-1H-1,2,4-triazol-1-yl)(6-((benzyloxy)methyl)-3,6-dihydropyridin-1(2H)-yl)methanone
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cnc(-c2ccc(-c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C28H26N4O2/c33-28(31-18-8-7-13-26(31)20-34-19-22-9-3-1-4-10-22)32-21-29-27(30-32)25-16-14-24(15-17-25)23-11-5-2-6-12-23/h1-7,9-17,21,26H,8,18-20H2/t26-/m1/s1
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| InChIKey |
XSWGCRFKHRGMND-AREMUKBSSA-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