General Information of the Compound
| Compound ID |
CP0869859
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| Compound Name |
exo-8-[Bis(2-chlorophenyl)methyl]-3-[3-(1-piperidinylmethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane
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| Formula |
C31H35Cl2N3
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| Molecular Weight |
520.548
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| Canonical SMILES |
Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@@H](c1ncccc1CN1CCCCC1)C2
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| InChI |
InChI=1S/C31H35Cl2N3/c32-28-12-4-2-10-26(28)31(27-11-3-5-13-29(27)33)36-24-14-15-25(36)20-23(19-24)30-22(9-8-16-34-30)21-35-17-6-1-7-18-35/h2-5,8-13,16,23-25,31H,1,6-7,14-15,17-21H2/t23-,24+,25-
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| InChIKey |
ZLGWYJASQNICIN-QEIWAGNOSA-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