General Information of the Compound
| Compound ID |
CP0440606
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| Compound Name |
3-(2-nitro-1-phenylethyl)-2-phenyl-1H-pyrrole
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| Structure |
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| Formula |
C18H16N2O2
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| Molecular Weight |
292.338
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| Canonical SMILES |
[O-][N+](=O)CC(c1cc[nH]c1-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C18H16N2O2/c21-20(22)13-17(14-7-3-1-4-8-14)16-11-12-19-18(16)15-9-5-2-6-10-15/h1-12,17,19H,13H2
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| InChIKey |
QXKMGTXPSSZLQL-UHFFFAOYSA-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: PT01715, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1