General Information of the Compound
| Compound ID |
CP0458883
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[(8-aminooctylamino)methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C33H41N5O2
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| Molecular Weight |
539.724
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1
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| InChI |
InChI=1S/C33H41N5O2/c1-24-20-31(35)30-21-27(14-17-32(30)37-24)38-33(39)29-11-7-6-10-26(29)23-40-28-15-12-25(13-16-28)22-36-19-9-5-3-2-4-8-18-34/h6-7,10-17,20-21,36H,2-5,8-9,18-19,22-23,34H2,1H3,(H2,35,37)(H,38,39)
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| InChIKey |
ZHKPGCJXEUAHBK-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