General Information of the Compound
| Compound ID |
CP0135661
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| Compound Name |
CHEMBL1223953
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| Formula |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1
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| InChI |
InChI=1S/C22H26N2O/c23-22(25)19-8-4-7-17(12-19)11-18-13-20-9-10-21(14-18)24(20)15-16-5-2-1-3-6-16/h1-8,12,18,20-21H,9-11,13-15H2,(H2,23,25)/t18-,20-,21+
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| InChIKey |
SKQZYGXREOYGMD-ZKTXZKFHSA-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