General Information of the Compound
| Compound ID |
CP0442124
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| Compound Name |
1-benzyl-1'-cyclooctylmethylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C28H36N2O
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| Molecular Weight |
416.609
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| Canonical SMILES |
O=C1N(Cc2ccccc2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
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| InChI |
InChI=1S/C28H36N2O/c31-27-28(17-19-29(20-18-28)21-23-11-5-2-1-3-6-12-23)25-15-9-10-16-26(25)30(27)22-24-13-7-4-8-14-24/h4,7-10,13-16,23H,1-3,5-6,11-12,17-22H2
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| InChIKey |
KNOVIPKRXOCVMF-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