General Information of the Compound
| Compound ID |
CP0443711
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| Compound Name |
US8846929, 92
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| Structure |
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| Formula |
C25H36N4O2
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| Molecular Weight |
424.589
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| Canonical SMILES |
O[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C25H36N4O2/c30-21-14-17-28(18-21)24-25(31)29(23-11-7-6-10-22(23)26-24)20-12-15-27(16-13-20)19-8-4-2-1-3-5-9-19/h6-7,10-11,19-21,30H,1-5,8-9,12-18H2/t21-/m1/s1
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| InChIKey |
WBQLTIHOUOWFAC-OAQYLSRUSA-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