General Information of the Compound
| Compound ID |
CP0431272
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| Compound Name |
2-[1'-cyclooctylmethyl-2-oxospiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]ethyl acetate
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| Structure |
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| Formula |
C25H36N2O3
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| Molecular Weight |
412.574
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| Canonical SMILES |
CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
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| InChI |
InChI=1S/C25H36N2O3/c1-20(28)30-18-17-27-23-12-8-7-11-22(23)25(24(27)29)13-15-26(16-14-25)19-21-9-5-3-2-4-6-10-21/h7-8,11-12,21H,2-6,9-10,13-19H2,1H3
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| InChIKey |
PJUYFSRWEFJRNZ-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor