General Information of the Compound
| Compound ID |
CP0793147
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| Compound Name |
Exo-8-[bis(2-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C26H26Cl2N2
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| Molecular Weight |
437.414
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| Canonical SMILES |
Cc1cccnc1[C@H]1C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H26Cl2N2/c1-17-7-6-14-29-25(17)18-15-19-12-13-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-11,14,18-20,26H,12-13,15-16H2,1H3/t18-,19+,20-
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| InChIKey |
RHWNONRLTQFPQK-ACDBMABISA-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