General Information of the Compound
| Compound ID |
CP0379925
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| Compound Name |
(2S)-2-amino-1-(4-benzyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H30N2O2/c1-18-14-22(30)15-19(2)24(18)17-25(28)27(31)29-13-12-21(16-20-8-4-3-5-9-20)23-10-6-7-11-26(23)29/h3-11,14-15,21,25,30H,12-13,16-17,28H2,1-2H3/t21?,25-/m0/s1
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| InChIKey |
XRSVQCVOLXXZHN-QBGQUKIHSA-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