General Information of the Compound
| Compound ID |
CP0376537
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C29H27N5O3S2
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| Molecular Weight |
557.701
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccnc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C29H27N5O3S2/c35-28(24-4-2-15-31-18-24)19-32-16-13-21-5-9-25(10-6-21)34-39(36,37)26-11-7-22(8-12-26)29-33-27(20-38-29)23-3-1-14-30-17-23/h1-12,14-15,17-18,20,28,32,34-35H,13,16,19H2/t28-/m0/s1
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| InChIKey |
BUWGPRARTGCDQE-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
Protein ID: PT01493, Beta-3 adrenergic receptor