General Information of the Compound
| Compound ID |
CP0448592
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| Compound Name |
1'-cyclooctylmethyl-1,5-dimethylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C23H34N2O
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| Molecular Weight |
354.538
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| Canonical SMILES |
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C)ccc12
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| InChI |
InChI=1S/C23H34N2O/c1-18-10-11-21-20(16-18)23(22(26)24(21)2)12-14-25(15-13-23)17-19-8-6-4-3-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3
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| InChIKey |
FHOFCCHFZZIEIE-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