General Information of the Compound
| Compound ID |
CP0502500
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| Compound Name |
4-[5-(2-Hydroxy-phenoxymethyl)-[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 |
C30H29N5O6S
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| Molecular Weight |
587.658
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccccc3O)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H29N5O6S/c36-26-5-1-2-6-28(26)40-20-29-33-30(34-41-29)22-9-13-25(14-10-22)42(38,39)35-24-11-7-21(8-12-24)15-17-32-19-27(37)23-4-3-16-31-18-23/h1-14,16,18,27,32,35-37H,15,17,19-20H2/t27-/m0/s1
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| InChIKey |
PYCIBYBKAOWFLX-MHZLTWQESA-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
Protein ID: PT01493, Beta-3 adrenergic receptor