General Information of the Compound
| Compound ID |
CP0422182
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| Compound Name |
4-[5-(2-Cyclopentyloxy-ethyl)-[1,2,4]oxadiazol-3-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 |
C30H35N5O5S
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| Molecular Weight |
577.707
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCOC3CCCC3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H35N5O5S/c36-28(24-4-3-17-31-20-24)21-32-18-15-22-7-11-25(12-8-22)35-41(37,38)27-13-9-23(10-14-27)30-33-29(40-34-30)16-19-39-26-5-1-2-6-26/h3-4,7-14,17,20,26,28,32,35-36H,1-2,5-6,15-16,18-19,21H2/t28-/m0/s1
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| InChIKey |
CWSRMSBFXAGITP-NDEPHWFRSA-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