General Information of the Compound
| Compound ID |
CP0403915
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| Compound Name |
CHEMBL2387189
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| Formula |
C24H36N2O
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| Molecular Weight |
368.565
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| Canonical SMILES |
CCC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12
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| InChI |
InChI=1S/C24H36N2O/c1-4-24(2,3)19-9-11-20(12-10-19)25-15-13-21(14-16-25)26-22-8-6-5-7-18(22)17-23(26)27/h5-8,19-21H,4,9-17H2,1-3H3/t19-,20+
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| InChIKey |
VPRGZBLRSGAWRB-BGYRXZFFSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor