General Information of the Compound
| Compound ID |
CP0806432
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| Compound Name |
Exo-8-[bis(2-chlorophenyl)methyl]-3-(4-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 |
Cc1ccnc([C@H]2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)c1
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| InChI |
InChI=1S/C26H26Cl2N2/c1-17-12-13-29-25(14-17)18-15-19-10-11-20(16-18)30(19)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-9,12-14,18-20,26H,10-11,15-16H2,1H3/t18-,19+,20-
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| InChIKey |
SDIJRCLRWUUJRW-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