General Information of the Compound
| Compound ID |
CP0458882
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| Compound Name |
2-[[4-[(4-aminobutylamino)methyl]phenoxy]methyl]-N-(4-amino-2-methylquinolin-6-yl)benzamide
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
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| InChI |
InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
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| InChIKey |
CMFMGQWSFBZJHX-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