General Information of the Compound
| Compound ID |
CP0492061
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| Compound Name |
CHEMBL4521436
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| Formula |
C29H46N4O
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| Molecular Weight |
466.714
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)CCCCCN)c2ccccc12
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| InChI |
InChI=1S/C29H46N4O/c1-22(2)23-11-13-25(14-12-23)32-18-15-26(16-19-32)33-21-24(27-8-5-6-9-28(27)33)20-31-29(34)10-4-3-7-17-30/h5-6,8-9,21-23,25-26H,3-4,7,10-20,30H2,1-2H3,(H,31,34)/t23-,25+
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| InChIKey |
ZUGCJUUUBNUVGL-GUOBSTCESA-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