General Information of the Compound
| Compound ID |
CP0464761
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[(decylamino)methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C35H44N4O2
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| Molecular Weight |
552.763
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| Canonical SMILES |
CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
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| InChI |
InChI=1S/C35H44N4O2/c1-3-4-5-6-7-8-9-12-21-37-24-27-15-18-30(19-16-27)41-25-28-13-10-11-14-31(28)35(40)39-29-17-20-34-32(23-29)33(36)22-26(2)38-34/h10-11,13-20,22-23,37H,3-9,12,21,24-25H2,1-2H3,(H2,36,38)(H,39,40)
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| InChIKey |
NISPVHKSBITFCL-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