General Information of the Compound
| Compound ID |
CP0432468
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-[(2,4,6-trifluorophenyl)methyl]triazol-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C30H27F3N6O3S
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| Molecular Weight |
608.646
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H27F3N6O3S/c31-22-14-28(32)27(29(33)15-22)16-24-18-36-39(37-24)25-7-9-26(10-8-25)43(41,42)38-23-5-3-20(4-6-23)11-13-35-19-30(40)21-2-1-12-34-17-21/h1-10,12,14-15,17-18,30,35,38,40H,11,13,16,19H2/t30-/m0/s1
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| InChIKey |
FASMAUWLJXUAIL-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