General Information of the Compound
| Compound ID |
CP0488298
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| Compound Name |
2-(3,4-dichlorophenyl)-1-[4-[(4-methoxyphenyl)methyl]-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 |
C28H35Cl2N3O2
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| Molecular Weight |
516.513
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| Canonical SMILES |
COc1ccc(CN2CCN(C3C(CCCC23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C28H35Cl2N3O2/c1-35-22-10-7-20(8-11-22)19-32-15-16-33(27(34)18-21-9-12-23(29)24(30)17-21)28-25(5-4-6-26(28)32)31-13-2-3-14-31/h7-12,17,25-26,28H,2-6,13-16,18-19H2,1H3
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| InChIKey |
QBCJXEWVKYBDNG-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor