General Information of the Compound
| Compound ID |
CP0399752
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| Compound Name |
5-chloro-3-ethyl-N-[2-[4-(methylamino)phenyl]ethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(NC)cc1
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| InChI |
InChI=1S/C20H22ClN3O/c1-3-16-17-12-14(21)6-9-18(17)24-19(16)20(25)23-11-10-13-4-7-15(22-2)8-5-13/h4-9,12,22,24H,3,10-11H2,1-2H3,(H,23,25)
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| InChIKey |
SPTNEZKXRMAQGK-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