General Information of the Compound
| Compound ID |
CP0509985
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| Compound Name |
3-(2-Hydroxy-ethoxy)-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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| Structure |
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| Formula |
C27H26N2O3
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| Molecular Weight |
426.516
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| Canonical SMILES |
CC[C@@H](NC(=O)c1c(OCCO)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H26N2O3/c1-2-22(19-11-5-3-6-12-19)29-27(31)24-21-15-9-10-16-23(21)28-25(26(24)32-18-17-30)20-13-7-4-8-14-20/h3-16,22,30H,2,17-18H2,1H3,(H,29,31)/t22-/m1/s1
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| InChIKey |
FGYOTBSIZORJPA-JOCHJYFZSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor