General Information of the Compound
| Compound ID |
CP0372613
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| Compound Name |
8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-3-(pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
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| Structure |
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| Formula |
C25H25Cl2N3O
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| Molecular Weight |
454.401
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| Canonical SMILES |
Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H25Cl2N3O/c1-16-6-9-20(22(27)12-16)24(19-4-2-3-5-21(19)26)30-17-7-8-18(30)14-25(31,13-17)23-10-11-28-15-29-23/h2-6,9-12,15,17-18,24,31H,7-8,13-14H2,1H3
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| InChIKey |
JKCGUKCHGQOSKC-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