General Information of the Compound
| Compound ID |
CP0120366
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| Compound Name |
N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C28H37N3O2/c1-3-28(33)31(25-9-5-4-6-10-25)20-22-14-16-30(17-15-22)19-23-12-13-26-24(18-23)8-7-11-27(26)29-21(2)32/h4-6,9-10,12-13,18,22,27H,3,7-8,11,14-17,19-20H2,1-2H3,(H,29,32)/t27-/m1/s1
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| InChIKey |
SBNKCVOCOIYOEI-HHHXNRCGSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor