General Information of the Compound
| Compound ID |
CP0419423
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| Compound Name |
2-[(4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-6-benzyl-3,4-dihydro-2H-quinolin-1-yl]acetic acid
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| Structure |
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(CC(O)=O)c2ccc(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C29H33N3O4/c1-18-12-22(33)13-19(2)23(18)16-25(30)29(36)31-26-10-11-32(17-28(34)35)27-9-8-21(15-24(26)27)14-20-6-4-3-5-7-20/h3-9,12-13,15,25-26,33H,10-11,14,16-17,30H2,1-2H3,(H,31,36)(H,34,35)/t25-,26+/m0/s1
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| InChIKey |
OWKKAOIXYBAPSS-IZZNHLLZSA-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