General Information of the Compound
| Compound ID |
CP0464739
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| Compound Name |
4-[3-(2-Cyclopentyl-ethyl)-2-oxo-imidazolidin-1-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
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| Structure |
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| Formula |
C31H39N5O4S
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| Molecular Weight |
577.751
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCC3)C2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C31H39N5O4S/c37-30(26-6-3-17-32-22-26)23-33-18-15-25-7-9-27(10-8-25)34-41(39,40)29-13-11-28(12-14-29)36-21-20-35(31(36)38)19-16-24-4-1-2-5-24/h3,6-14,17,22,24,30,33-34,37H,1-2,4-5,15-16,18-21,23H2/t30-/m0/s1
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| InChIKey |
RGXATHSMICGKLT-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