General Information of the Compound
| Compound ID |
CP0496292
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| Compound Name |
N-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-4-phenylbutanamide
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| Structure |
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| Formula |
C31H34N4O4S
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| Molecular Weight |
558.704
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C31H34N4O4S/c36-30(26-9-5-20-32-22-26)23-33-21-19-25-11-13-28(14-12-25)35-40(38,39)29-17-15-27(16-18-29)34-31(37)10-4-8-24-6-2-1-3-7-24/h1-3,5-7,9,11-18,20,22,30,33,35-36H,4,8,10,19,21,23H2,(H,34,37)/t30-/m0/s1
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| InChIKey |
XGJADJYYZHOOAY-PMERELPUSA-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