General Information of the Compound
| Compound ID |
CP0945152
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| Compound Name |
(E)-(1S,2S,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-dimethyl-benzyl)-7-phenethylcarbamoyl-8-phenyl-oct-4-enyl-ammonium
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| Structure |
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| Formula |
C32H40N2O4
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| Molecular Weight |
516.682
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/b14-9+/t28-,29+,30-,31+/m1/s1
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| InChIKey |
SVOIYZOGBVGZOD-RUGFHNIFSA-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: PT01515, Mu-type opioid receptor