General Information of the Compound
| Compound ID |
CP0392519
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| Compound Name |
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,6-dichloro-4-hydroxyphenyl)propanamide
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| Structure |
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| Formula |
C25H25Cl2N3O2
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| Molecular Weight |
470.4
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| Canonical SMILES |
N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1
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| InChIKey |
WNLHEKJUSTXAKY-LADGPHEKSA-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