General Information of the Compound
| Compound ID |
CP0399269
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| Compound Name |
8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C25H24Cl2N2O
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| Molecular Weight |
439.386
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| Canonical SMILES |
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1
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| InChI |
InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
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| InChIKey |
IWADOPWWRIXIBC-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