General Information of the Compound
| Compound ID |
CP0397225
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| Compound Name |
(1S,11R,15R,16R,17S,19S)-22-benzyl-6-hydroxy-12-(2-phenylethyl)-2,4,18-trioxa-12,22-diazaheptacyclo[15.4.2.15,9.01,16.011,19.015,19.015,24]tetracosa-5,7,9(24)-trien-23-one
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| Structure |
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| Formula |
C34H34N2O5
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| Molecular Weight |
550.655
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@]45[C@@H]6[C@@H]7O[C@]34CC[C@@]6(OCOc1c25)N(Cc1ccccc1)C7=O
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| InChI |
InChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1
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| InChIKey |
BOWOPEVIHUYMAZ-KRGIVBCISA-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