General Information of the Compound
| Compound ID |
CP0456604
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| Compound Name |
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(8-hydroxynaphthalen-2-yl)propanamide
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| Structure |
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| Formula |
C29H29N3O2
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| Molecular Weight |
451.57
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| Canonical SMILES |
N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1
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| InChIKey |
NOSNXRLWJBVCAZ-AHKZPQOWSA-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