General Information of the Compound
| Compound ID |
CP0500772
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| Compound Name |
8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-3-(3-hydroxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C24H29Cl2NO2
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| Molecular Weight |
434.407
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| Canonical SMILES |
Cc1ccc(C(N2C3CCC2CC(O)(CCCO)C3)c2ccccc2Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H29Cl2NO2/c1-16-7-10-20(22(26)13-16)23(19-5-2-3-6-21(19)25)27-17-8-9-18(27)15-24(29,14-17)11-4-12-28/h2-3,5-7,10,13,17-18,23,28-29H,4,8-9,11-12,14-15H2,1H3
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| InChIKey |
BUFJQMQIISLUKT-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