General Information of the Compound
| Compound ID |
CP0706577
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| Compound Name |
Exo-8-[bis(2-chorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C26H26Cl2N2O
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| Molecular Weight |
453.413
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| Canonical SMILES |
COc1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1
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| InChI |
InChI=1S/C26H26Cl2N2O/c1-31-25-12-6-11-24(29-25)17-15-18-13-14-19(16-17)30(18)26(20-7-2-4-9-22(20)27)21-8-3-5-10-23(21)28/h2-12,17-19,26H,13-16H2,1H3/t17-,18+,19-
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| InChIKey |
ORTSEGKOUGBFOV-REPLKXPHSA-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