General Information of the Compound
| Compound ID |
CP0377145
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C32H32N4O3S2
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| Molecular Weight |
584.767
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(CCc3ccccc3)cs2)cc1)c1cccnc1
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| InChI |
InChI=1S/C32H32N4O3S2/c37-31(27-7-4-19-33-21-27)22-34-20-18-25-8-13-28(14-9-25)36-41(38,39)30-16-11-26(12-17-30)32-35-29(23-40-32)15-10-24-5-2-1-3-6-24/h1-9,11-14,16-17,19,21,23,31,34,36-37H,10,15,18,20,22H2/t31-/m0/s1
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| InChIKey |
KNIUEVGRHZOFBO-HKBQPEDESA-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