General Information of the Compound
| Compound ID |
CP0421041
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| Compound Name |
3-[1-(3-fluoropyridin-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
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| Structure |
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| Formula |
C21H16FN3O2
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| Molecular Weight |
361.376
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| Canonical SMILES |
[O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccccc1)c1ncccc1F
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| InChI |
InChI=1S/C21H16FN3O2/c22-17-10-6-12-23-21(17)16(13-25(26)27)19-15-9-4-5-11-18(15)24-20(19)14-7-2-1-3-8-14/h1-12,16,24H,13H2
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| InChIKey |
HRZDHPOVJRTXDG-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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Protein ID: PT02190, Cannabinoid receptor 1