General Information of the Compound
| Compound ID |
CP0484465
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| Compound Name |
US8846929, 61
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| Structure |
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| Formula |
C26H38N4O3
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| Molecular Weight |
454.615
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| Canonical SMILES |
CCOC(=O)CN(C)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C26H38N4O3/c1-3-33-24(31)19-28(2)25-26(32)30(23-14-10-9-13-22(23)27-25)21-15-17-29(18-16-21)20-11-7-5-4-6-8-12-20/h9-10,13-14,20-21H,3-8,11-12,15-19H2,1-2H3
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| InChIKey |
UWJBTQUHJRUTMG-UHFFFAOYSA-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