General Information of the Compound
| Compound ID |
CP0442122
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| Compound Name |
methyl 2-[1'-(cyclooctylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
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| Structure |
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| Formula |
C24H34N2O3
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| Molecular Weight |
398.547
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| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
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| InChI |
InChI=1S/C24H34N2O3/c1-29-22(27)18-26-21-12-8-7-11-20(21)24(23(26)28)13-15-25(16-14-24)17-19-9-5-3-2-4-6-10-19/h7-8,11-12,19H,2-6,9-10,13-18H2,1H3
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| InChIKey |
HFUCMBMATFVNGH-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