General Information of the Compound
| Compound ID |
CP0550161
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| Compound Name |
US8637502, 47
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| Structure |
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| Formula |
C25H36N4O3
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| Molecular Weight |
440.588
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| Canonical SMILES |
O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
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| InChI |
InChI=1S/C25H36N4O3/c30-24-25(31)29(20-10-12-27(13-11-20)19-6-4-2-1-3-5-7-19)23-18-21(8-9-22(23)26-24)28-14-16-32-17-15-28/h8-9,18-20H,1-7,10-17H2,(H,26,30)
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| InChIKey |
DUYDGIOXNYEFHX-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
Protein ID: PT01360, Nociceptin receptor