General Information of the Compound
| Compound ID |
CP0423620
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| Compound Name |
8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-3-((5-methoxypyridin-2-yl)methyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C28H30Cl2N2O2
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| Molecular Weight |
497.466
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| Canonical SMILES |
COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1
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| InChI |
InChI=1S/C28H30Cl2N2O2/c1-18-7-12-24(26(30)13-18)27(23-5-3-4-6-25(23)29)32-20-9-10-21(32)16-28(33,15-20)14-19-8-11-22(34-2)17-31-19/h3-8,11-13,17,20-21,27,33H,9-10,14-16H2,1-2H3
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| InChIKey |
FCAIKVZTCKWJCO-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