General Information of the Compound
| Compound ID |
CP0475113
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| Compound Name |
3-(bis(2-chlorophenyl)methyl)-8-(4-methylpyridin-2-yl)-3-azabicyclo[3.2.1]octan-8-ol
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| Structure |
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| Formula |
C26H26Cl2N2O
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| Molecular Weight |
453.413
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| Canonical SMILES |
Cc1ccnc(c1)C1(O)C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H26Cl2N2O/c1-17-12-13-29-24(14-17)26(31)18-10-11-19(26)16-30(15-18)25(20-6-2-4-8-22(20)27)21-7-3-5-9-23(21)28/h2-9,12-14,18-19,25,31H,10-11,15-16H2,1H3
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| InChIKey |
ZPLILHQKRRQMKU-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor