General Information of the Compound
| Compound ID |
CP0415378
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| Compound Name |
4-{3-[3-(4-Chloro-phenyl)-propyl]-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 |
C33H36ClN5O4S
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| Molecular Weight |
634.202
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccc(Cl)cc3)C2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C33H36ClN5O4S/c34-28-9-5-25(6-10-28)3-2-20-38-21-22-39(33(38)41)30-13-15-31(16-14-30)44(42,43)37-29-11-7-26(8-12-29)17-19-36-24-32(40)27-4-1-18-35-23-27/h1,4-16,18,23,32,36-37,40H,2-3,17,19-22,24H2/t32-/m0/s1
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| InChIKey |
VEFNOXUMCKBHJC-YTTGMZPUSA-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