General Information of the Compound
| Compound ID |
CP0411819
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| Compound Name |
2-(3,4-dichlorophenyl)-1-(4-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 |
C21H29Cl2N3O
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| Molecular Weight |
410.389
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| Canonical SMILES |
CN1CCN(C2C(CCCC12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H29Cl2N3O/c1-24-11-12-26(20(27)14-15-7-8-16(22)17(23)13-15)21-18(24)5-4-6-19(21)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3
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| InChIKey |
CQXHKVAZLJKFTQ-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