General Information of the Compound
| Compound ID |
CP0464766
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[(heptylamino)methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
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| InChI |
InChI=1S/C32H38N4O2/c1-3-4-5-6-9-18-34-21-24-12-15-27(16-13-24)38-22-25-10-7-8-11-28(25)32(37)36-26-14-17-31-29(20-26)30(33)19-23(2)35-31/h7-8,10-17,19-20,34H,3-6,9,18,21-22H2,1-2H3,(H2,33,35)(H,36,37)
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| InChIKey |
NWSSUJWCJDJJPF-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