General Information of the Compound
| Compound ID |
CP0467675
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| Compound Name |
2-[[4-[(7-aminoheptylamino)methyl]phenoxy]methyl]-N-(4-amino-2-methylquinolin-6-yl)benzamide
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| Structure |
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| Formula |
C32H39N5O2
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| Molecular Weight |
525.697
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1
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| InChI |
InChI=1S/C32H39N5O2/c1-23-19-30(34)29-20-26(13-16-31(29)36-23)37-32(38)28-10-6-5-9-25(28)22-39-27-14-11-24(12-15-27)21-35-18-8-4-2-3-7-17-33/h5-6,9-16,19-20,35H,2-4,7-8,17-18,21-22,33H2,1H3,(H2,34,36)(H,37,38)
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| InChIKey |
NMRVGZVEYKTXLI-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