General Information of the Compound
| Compound ID |
CP0397614
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| Compound Name |
CHEMBL2387196
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| Formula |
C24H36N2O
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| Molecular Weight |
368.565
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| Canonical SMILES |
CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12
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| InChI |
InChI=1S/C24H36N2O/c1-4-21-22-7-5-6-8-23(22)26(24(21)27)20-13-15-25(16-14-20)19-11-9-18(10-12-19)17(2)3/h5-8,17-21H,4,9-16H2,1-3H3/t18-,19+,21?
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| InChIKey |
AFKOBULTASCVMS-PMSBKCLSSA-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