General Information of the Compound
| Compound ID |
CP0528122
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| Compound Name |
4-[3-(2-Cyclohexyl-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 |
C32H41N5O4S
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| Molecular Weight |
591.778
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCCC3)C2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C32H41N5O4S/c38-31(27-7-4-18-33-23-27)24-34-19-16-26-8-10-28(11-9-26)35-42(40,41)30-14-12-29(13-15-30)37-22-21-36(32(37)39)20-17-25-5-2-1-3-6-25/h4,7-15,18,23,25,31,34-35,38H,1-3,5-6,16-17,19-22,24H2/t31-/m0/s1
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| InChIKey |
OCHOGRRCVDSWQT-HKBQPEDESA-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