General Information of the Compound
| Compound ID |
CP0404433
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| Compound Name |
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,5-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O
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| InChI |
InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1
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| InChIKey |
AJEOBNISERORCF-UKILVPOCSA-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