General Information of the Compound
| Compound ID |
CP0795317
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| Compound Name |
Exo-8-[bis(2-chorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane
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| Formula |
C26H25Cl2N
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| Molecular Weight |
422.399
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| Canonical SMILES |
Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2
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| InChI |
InChI=1S/C26H25Cl2N/c27-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)28)29-20-14-15-21(29)17-19(16-20)18-8-2-1-3-9-18/h1-13,19-21,26H,14-17H2/t19-,20+,21-
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| InChIKey |
ANZNNONCPKQWNN-WKCHPHFGSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor