General Information of the Compound
| Compound ID |
CP0420050
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| Compound Name |
(2S)-2-amino-N-[(4R)-6-benzyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12
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| InChI |
InChI=1S/C30H35N3O3/c1-4-29(35)33-13-12-27(25-17-22(10-11-28(25)33)16-21-8-6-5-7-9-21)32-30(36)26(31)18-24-19(2)14-23(34)15-20(24)3/h5-11,14-15,17,26-27,34H,4,12-13,16,18,31H2,1-3H3,(H,32,36)/t26-,27+/m0/s1
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| InChIKey |
QFHBAYMQVLMKAH-RRPNLBNLSA-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