General Information of the Compound
| Compound ID |
CP0873332
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| Compound Name |
(5S,7S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
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| Synonyms |
N/OFQ receptor antagonist (inflammatory disease), SRI International
SB-612111
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| Structure |
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| Formula |
C24H29Cl2NO
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| Molecular Weight |
418.408
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| Canonical SMILES |
Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O
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| InChI |
InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1
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| InChIKey |
OHRDCQFCAWLDBP-SBUREZEXSA-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
Clinical Information about the Compound