General Information of the Compound
| Compound ID |
CP0416785
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| Compound Name |
N-[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H35N3O2/c1-3-27(32)30(23-9-5-4-6-10-23)24-14-16-29(17-15-24)19-21-12-13-25-22(18-21)8-7-11-26(25)28-20(2)31/h4-6,9-10,12-13,18,24,26H,3,7-8,11,14-17,19H2,1-2H3,(H,28,31)/t26-/m1/s1
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| InChIKey |
QKEIFVMOIGKPFP-AREMUKBSSA-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