General Information of the Compound
| Compound ID |
CP0557256
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| Compound Name |
N-[3-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]benzamide
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| Structure |
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| Formula |
C27H27N3O4
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| Molecular Weight |
457.53
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| Canonical SMILES |
OC(CNCCCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C27H27N3O4/c31-23-13-11-21(22-12-14-25(33)30-26(22)23)24(32)17-28-15-5-7-18-6-4-10-20(16-18)29-27(34)19-8-2-1-3-9-19/h1-4,6,8-14,16,24,28,31-32H,5,7,15,17H2,(H,29,34)(H,30,33)
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| InChIKey |
XPOVXULVGYKMGB-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor