General Information of the Compound
| Compound ID |
CP0865282
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| Compound Name |
4-Nitrophenyl-(R)-6-((benzyloxy)methyl)-3,6-dihydropyridine-1(2H)-carboxylate
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| Structure |
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| Formula |
C20H20N2O5
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| Molecular Weight |
368.389
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| Canonical SMILES |
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC=C[C@@H]1COCc1ccccc1
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| InChI |
InChI=1S/C20H20N2O5/c23-20(27-19-11-9-17(10-12-19)22(24)25)21-13-5-4-8-18(21)15-26-14-16-6-2-1-3-7-16/h1-4,6-12,18H,5,13-15H2/t18-/m1/s1
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| InChIKey |
MUTMBWRUYZTJFH-GOSISDBHSA-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