General Information of the Compound
| Compound ID |
CP0376379
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| Compound Name |
4-[4-(4-Fluoro-benzyl)-[1,2,3]triazol-2-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 |
C30H29FN6O3S
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| Molecular Weight |
572.666
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H29FN6O3S/c31-25-7-3-23(4-8-25)18-27-20-34-37(35-27)28-11-13-29(14-12-28)41(39,40)36-26-9-5-22(6-10-26)15-17-33-21-30(38)24-2-1-16-32-19-24/h1-14,16,19-20,30,33,36,38H,15,17-18,21H2/t30-/m0/s1
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| InChIKey |
OGAMFQMNCVZDFQ-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
Protein ID: PT01493, Beta-3 adrenergic receptor