General Information of the Compound
| Compound ID |
CP0445417
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| Compound Name |
3-(1-benzylpyrrolidin-2-yl)-8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C32H36Cl2N2O
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| Molecular Weight |
535.559
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| Canonical SMILES |
Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCN2Cc2ccccc2)c2ccccc2Cl)c(Cl)c1
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| InChI |
InChI=1S/C32H36Cl2N2O/c1-22-13-16-27(29(34)18-22)31(26-10-5-6-11-28(26)33)36-24-14-15-25(36)20-32(37,19-24)30-12-7-17-35(30)21-23-8-3-2-4-9-23/h2-6,8-11,13,16,18,24-25,30-31,37H,7,12,14-15,17,19-21H2,1H3
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| InChIKey |
AJROZQRQWUWULZ-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