General Information of the Compound
| Compound ID |
CP0417342
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| Compound Name |
2-(4-nitrophenyl)ethyl 5-chloro-3-ethyl-1H-indole-2-carboxylate
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| Structure |
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| Formula |
C19H17ClN2O4
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| Molecular Weight |
372.808
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| Canonical SMILES |
CCc1c([nH]c2ccc(Cl)cc12)C(=O)OCCc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H17ClN2O4/c1-2-15-16-11-13(20)5-8-17(16)21-18(15)19(23)26-10-9-12-3-6-14(7-4-12)22(24)25/h3-8,11,21H,2,9-10H2,1H3
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| InChIKey |
UNNJLUGSPSGKPK-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
Protein ID: PT00834, Cannabinoid receptor 2