General Information of the Compound
| Compound ID |
CP0428049
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| Compound Name |
1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-3-yl acetate
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
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| InChI |
InChI=1S/C27H27N3O2/c1-17(31)32-25-16-30(24-14-19-8-3-6-18-7-4-9-22(24)26(18)19)13-11-20(25)23-15-29(2)27-21(23)10-5-12-28-27/h3-10,12,15,20,24-25H,11,13-14,16H2,1-2H3
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| InChIKey |
CESTVULNPDJEOK-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor