General Information of the Compound
| Compound ID |
CP0456939
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| Compound Name |
3-(2-nitro-1-phenylethyl)-1H-indole
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| Structure |
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| Formula |
C16H14N2O2
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| Molecular Weight |
266.3
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| Canonical SMILES |
[O-][N+](=O)CC(c1c[nH]c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C16H14N2O2/c19-18(20)11-15(12-6-2-1-3-7-12)14-10-17-16-9-5-4-8-13(14)16/h1-10,15,17H,11H2
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| InChIKey |
NTQBCZPFTAELGC-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic