General Information of the Compound
| Compound ID |
CP0458881
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-[(3-aminopropylamino)methyl]phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1
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| InChI |
InChI=1S/C28H31N5O2/c1-19-15-26(30)25-16-22(9-12-27(25)32-19)33-28(34)24-6-3-2-5-21(24)18-35-23-10-7-20(8-11-23)17-31-14-4-13-29/h2-3,5-12,15-16,31H,4,13-14,17-18,29H2,1H3,(H2,30,32)(H,33,34)
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| InChIKey |
BMRYSGGABOUNDU-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