General Information of the Compound
| Compound ID |
CP0534396
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| Compound Name |
N-[3-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
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| InChI |
InChI=1S/C24H29N3O4/c1-15(2)24(31)26-17-7-3-5-16(13-17)6-4-12-25-14-21(29)18-8-10-20(28)23-19(18)9-11-22(30)27-23/h3,5,7-11,13,15,21,25,28-29H,4,6,12,14H2,1-2H3,(H,26,31)(H,27,30)
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| InChIKey |
GGMXCQZROHWEQM-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