General Information of the Compound
| Compound ID |
CP0429384
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| Compound Name |
methyl (4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-6-(naphthalen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
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| Structure |
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| Formula |
C33H35N3O4
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| Molecular Weight |
537.66
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| Canonical SMILES |
COC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
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| InChI |
InChI=1S/C33H35N3O4/c1-20-14-26(37)15-21(2)27(20)19-29(34)32(38)35-30-12-13-36(33(39)40-3)31-11-9-23(18-28(30)31)16-22-8-10-24-6-4-5-7-25(24)17-22/h4-11,14-15,17-18,29-30,37H,12-13,16,19,34H2,1-3H3,(H,35,38)/t29-,30+/m0/s1
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| InChIKey |
JUZGQKDSNUFOCQ-XZWHSSHBSA-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