General Information of the Compound
| Compound ID |
CP0274747
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| Compound Name |
4-[(3-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
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| Structure |
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| Formula |
C32H36FN3O2
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| Molecular Weight |
513.657
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(C)=O)c1
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| InChI |
InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)27-13-11-25(12-14-27)31(28-7-6-8-30(21-28)34-23(3)37)26-17-19-35(20-18-26)22-24-9-15-29(33)16-10-24/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,37)
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| InChIKey |
ZESALACGSZAQTP-UHFFFAOYSA-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: PT01515, Mu-type opioid receptor