General Information of the Compound
| Compound ID |
CP0114970
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| Compound Name |
(S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide
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| Synonyms |
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
N-((S)-alpha-Ethylbenzyl)-3-hydroxy-2-phenylcinchoninamide;N-(alpha-Ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide
SB 223412
SB-223412
Talnetant
Talnetant [INN]
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| Structure |
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| Formula |
C25H22N2O2
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| Molecular Weight |
382.463
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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| InChIKey |
BIAVGWDGIJKWRM-FQEVSTJZSA-N
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| CAS |
174636-32-9
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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: PT01515, Mu-type opioid receptor
Protein ID: PT01199, Neuromedin-K receptor
Cell-based Assay
Protein ID: PT05029, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor
Clinical Information about the Compound