General Information of the Compound
| Compound ID |
CP0508116
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| Compound Name |
3-[8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
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| Structure |
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| Formula |
C22H27NO
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| Molecular Weight |
321.464
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| Canonical SMILES |
Oc1cccc(c1)C1CC2CCC(C1)N2CCCc1ccccc1
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| InChI |
InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2
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| InChIKey |
AKHZTZTXFUYYJF-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: PT01200, Delta-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor