General Information of the Compound
| Compound ID |
CP0462356
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| Compound Name |
3-Ethyl-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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| Structure |
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| Formula |
C27H26N2O
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| Molecular Weight |
394.518
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| Canonical SMILES |
CC[C@@H](NC(=O)c1c(CC)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H26N2O/c1-3-21-25(27(30)29-23(4-2)19-13-7-5-8-14-19)22-17-11-12-18-24(22)28-26(21)20-15-9-6-10-16-20/h5-18,23H,3-4H2,1-2H3,(H,29,30)/t23-/m1/s1
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| InChIKey |
RVDBXUCLTPUWIX-HSZRJFAPSA-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