General Information of the Compound
| Compound ID |
CP0505803
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[(9-aminononylamino)methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C34H43N5O2
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| Molecular Weight |
553.751
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1
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| InChI |
InChI=1S/C34H43N5O2/c1-25-21-32(36)31-22-28(15-18-33(31)38-25)39-34(40)30-12-8-7-11-27(30)24-41-29-16-13-26(14-17-29)23-37-20-10-6-4-2-3-5-9-19-35/h7-8,11-18,21-22,37H,2-6,9-10,19-20,23-24,35H2,1H3,(H2,36,38)(H,39,40)
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| InChIKey |
RZYZZBRLERPXRY-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