General Information of the Compound
| Compound ID |
CP0471448
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(butylaminomethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
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| InChI |
InChI=1S/C29H32N4O2/c1-3-4-15-31-18-21-9-12-24(13-10-21)35-19-22-7-5-6-8-25(22)29(34)33-23-11-14-28-26(17-23)27(30)16-20(2)32-28/h5-14,16-17,31H,3-4,15,18-19H2,1-2H3,(H2,30,32)(H,33,34)
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| InChIKey |
RDRJGXAXPWBHQO-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor