General Information of the Compound
| Compound ID |
CP0385221
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| Compound Name |
(2S)-2-amino-N-[(4R)-6-(2,3-dihydro-1H-inden-2-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12
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| InChI |
InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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| InChIKey |
STBZVBNQAGOWPH-LMSSTIIKSA-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