General Information of the Compound
| Compound ID |
CP0452693
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| Compound Name |
CHEMBL4541337
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| Formula |
C27H41N3
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| Molecular Weight |
407.646
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C27H41N3/c1-21(2)22-9-11-24(12-10-22)29-17-13-25(14-18-29)30-20-23(19-28-15-5-6-16-28)26-7-3-4-8-27(26)30/h3-4,7-8,20-22,24-25H,5-6,9-19H2,1-2H3/t22-,24+
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| InChIKey |
NGKDULCWDLWYAO-QUPDYRNUSA-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