General Information of the Compound
| Compound ID |
CP0871267
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| Compound Name |
10-methoxy-4-phenethyl-17-(3-phenylpropoxy)-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one
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| Structure |
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| Formula |
C34H37NO4
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| Molecular Weight |
523.673
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CCc2ccccc2)CC[C@]314
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| InChI |
InChI=1S/C34H37NO4/c1-37-28-15-14-26-23-29-34(38-22-8-13-24-9-4-2-5-10-24)18-16-27(36)32-33(34,30(26)31(28)39-32)19-21-35(29)20-17-25-11-6-3-7-12-25/h2-7,9-12,14-15,29,32H,8,13,16-23H2,1H3/t29-,32+,33+,34-/m1/s1
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| InChIKey |
FJJLQZCJBYGMID-ODRDEDCPSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor