General Information of the Compound
| Compound ID |
CP0397222
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| Compound Name |
(1S,11R,15R,16R,17S,19S)-12-(cyclopropylmethyl)-6-hydroxy-22-(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 |
C31H34N2O5
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| Molecular Weight |
514.622
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@@H]6[C@@H]7O[C@]34CC[C@@]6(OCOc1c25)N(CCc1ccccc1)C7=O
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| InChI |
InChI=1S/C31H34N2O5/c34-22-9-8-21-16-23-30-11-12-31-27(26(38-30)28(35)33(31)14-10-19-4-2-1-3-5-19)29(30,24(21)25(22)36-18-37-31)13-15-32(23)17-20-6-7-20/h1-5,8-9,20,23,26-27,34H,6-7,10-18H2/t23-,26+,27+,29+,30-,31+/m1/s1
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| InChIKey |
ASWPFFLMSHOYIM-NLIGWKNISA-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