General Information of the Compound
| Compound ID |
CP0435483
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| Compound Name |
CHEMBL4473045
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| Formula |
C27H41N3O
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| Molecular Weight |
423.645
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC[C@@H](O)C2)c2ccccc12
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| InChI |
InChI=1S/C27H41N3O/c1-20(2)21-7-9-23(10-8-21)29-15-11-24(12-16-29)30-18-22(17-28-14-13-25(31)19-28)26-5-3-4-6-27(26)30/h3-6,18,20-21,23-25,31H,7-17,19H2,1-2H3/t21-,23+,25-/m1/s1
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| InChIKey |
UVJCSVMAXSVVJZ-NMVJMZGASA-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