General Information of the Compound
| Compound ID |
CP0450781
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| Compound Name |
US8846929, 45
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| Structure |
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
O=c1ccc(Nc2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)c[nH]1
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| InChI |
InChI=1S/C26H33N5O2/c32-24-13-12-19(18-27-24)28-25-26(33)31(23-11-7-6-10-22(23)29-25)21-14-16-30(17-15-21)20-8-4-2-1-3-5-9-20/h6-7,10-13,18,20-21H,1-5,8-9,14-17H2,(H,27,32)(H,28,29)
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| InChIKey |
XETLNDRTZKQLSI-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