General Information of the Compound
| Compound ID |
CP0385126
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| Compound Name |
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(4R)-6-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
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| Structure |
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| Formula |
C31H33N3O2
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| Molecular Weight |
479.624
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12
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| InChI |
InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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| InChIKey |
XIKCSOSQBVZUIJ-MFMCTBQISA-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