General Information of the Compound
| Compound ID |
CP0475107
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| Compound Name |
8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-3-(4-methylpyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C27H28Cl2N2O
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| Molecular Weight |
467.44
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| Canonical SMILES |
Cc1ccnc(c1)C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccc(C)cc1Cl
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| InChI |
InChI=1S/C27H28Cl2N2O/c1-17-7-10-22(24(29)13-17)26(21-5-3-4-6-23(21)28)31-19-8-9-20(31)16-27(32,15-19)25-14-18(2)11-12-30-25/h3-7,10-14,19-20,26,32H,8-9,15-16H2,1-2H3
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| InChIKey |
VAZISNGVORVHPA-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