General Information of the Compound
| Compound ID |
CP0392521
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| Compound Name |
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,6-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C27H31N3O
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| Molecular Weight |
413.565
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| Canonical SMILES |
Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1
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| InChIKey |
WIMIKYREURPSOR-AZGAKELHSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor