General Information of the Compound
| Compound ID |
CP0458880
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(propylaminomethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
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| InChI |
InChI=1S/C28H30N4O2/c1-3-14-30-17-20-8-11-23(12-9-20)34-18-21-6-4-5-7-24(21)28(33)32-22-10-13-27-25(16-22)26(29)15-19(2)31-27/h4-13,15-16,30H,3,14,17-18H2,1-2H3,(H2,29,31)(H,32,33)
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| InChIKey |
TWYCTZMTDROLEE-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