General Information of the Compound
| Compound ID |
CP0466710
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| Compound Name |
US8846929, 111
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
OC(=O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C26H35N3O3/c30-25(31)17-23-26(32)29(24-14-7-6-13-22(24)27-23)21-15-19-11-8-12-20(16-21)28(19)18-9-4-2-1-3-5-10-18/h6-7,13-14,18-21H,1-5,8-12,15-17H2,(H,30,31)/t19-,20+,21+
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| InChIKey |
RSYJMTSEPZEHFW-AERCQKQUSA-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