General Information of the Compound
| Compound ID |
CP0406974
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-4a-hydroxy-9-methoxy-3-[(E)-3-phenylprop-2-enoyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
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| Structure |
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| Formula |
C34H34N2O6
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| Molecular Weight |
566.654
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)C(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C34H34N2O6/c1-35(28(37)12-9-23-15-19-41-21-23)25-14-16-34(39)27-20-24-10-11-26(40-2)31-30(24)33(34,32(25)42-31)17-18-36(27)29(38)13-8-22-6-4-3-5-7-22/h3-13,15,19,21,25,27,32,39H,14,16-18,20H2,1-2H3/b12-9+,13-8+/t25-,27-,32+,33+,34-/m1/s1
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| InChIKey |
MMXZLJQAKBEUQW-UJWBDNNLSA-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
Protein ID: PT02001, Orexin/Hypocretin receptor type 1