General Information of the Compound
| Compound ID |
CP0411821
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| Compound Name |
2-(3,4-dichlorophenyl)-1-[4-(pyridin-2-ylmethyl)-8-pyrrolidin-1-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
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| Structure |
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| Formula |
C26H32Cl2N4O
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| Molecular Weight |
487.475
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| Canonical SMILES |
Clc1ccc(CC(=O)N2CCN(Cc3ccccn3)C3CCCC(C23)N2CCCC2)cc1Cl
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| InChI |
InChI=1S/C26H32Cl2N4O/c27-21-10-9-19(16-22(21)28)17-25(33)32-15-14-31(18-20-6-1-2-11-29-20)24-8-5-7-23(26(24)32)30-12-3-4-13-30/h1-2,6,9-11,16,23-24,26H,3-5,7-8,12-15,17-18H2
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| InChIKey |
QBDNZJPBHCOONA-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