General Information of the Compound
| Compound ID |
CP0513068
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| Compound Name |
2-(3,4-dichlorophenyl)-1-[8-(3-hydroxypyrrolidin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl]ethanone
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| Structure |
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| Formula |
C20H27Cl2N3O2
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| Molecular Weight |
412.361
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| Canonical SMILES |
OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
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| InChIKey |
RDLSULOPTIRHKK-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