General Information of the Compound
| Compound ID |
CP0392878
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| Compound Name |
8-hydroxy-5-[2-hydroxy-1-[6-(4-phenylbutoxy)hexylamino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C27H36N2O4
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| Molecular Weight |
452.595
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| Canonical SMILES |
OCC(NCCCCCCOCCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C27H36N2O4/c30-20-24(22-13-15-25(31)27-23(22)14-16-26(32)29-27)28-17-7-1-2-8-18-33-19-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-16,24,28,30-31H,1-2,6-9,12,17-20H2,(H,29,32)
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| InChIKey |
ABARJLSHDALLBS-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