General Information of the Compound
| Compound ID |
CP0534841
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]quinoline-3-sulfonamide
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| Structure |
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| Formula |
C24H24N4O3S
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| Molecular Weight |
448.548
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)c1cccnc1
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| InChI |
InChI=1S/C24H24N4O3S/c29-24(20-5-3-12-25-15-20)17-26-13-11-18-7-9-21(10-8-18)28-32(30,31)22-14-19-4-1-2-6-23(19)27-16-22/h1-10,12,14-16,24,26,28-29H,11,13,17H2/t24-/m0/s1
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| InChIKey |
NNULNULBQFJNGI-DEOSSOPVSA-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