General Information of the Compound
| Compound ID |
CP0442033
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| Compound Name |
US8846929, 24
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| Structure |
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| Formula |
C24H34N4O
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| Molecular Weight |
394.563
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| Canonical SMILES |
C=CCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C24H34N4O/c1-2-16-25-23-24(29)28(22-13-9-8-12-21(22)26-23)20-14-17-27(18-15-20)19-10-6-4-3-5-7-11-19/h2,8-9,12-13,19-20H,1,3-7,10-11,14-18H2,(H,25,26)
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| InChIKey |
ZAGLPCIXDGWMFY-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