General Information of the Compound
| Compound ID |
CP0316362
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| Compound Name |
CHEMBL1224141
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
Cc1ccc(cc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C22H26N2O2/c1-15-7-8-17(22(23)25)11-21(15)26-20-12-18-9-10-19(13-20)24(18)14-16-5-3-2-4-6-16/h2-8,11,18-20H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,20+
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| InChIKey |
JTJFSCIURFCZGE-PMOLBWCYSA-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