General Information of the Compound
| Compound ID |
CP0467467
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| Compound Name |
4-[4-(3-Cyclopentyl-propyl)-thiazol-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 |
C32H38N4O3S2
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| Molecular Weight |
590.815
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(CCCC3CCCC3)cs2)cc1)c1cccnc1
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| InChI |
InChI=1S/C32H38N4O3S2/c37-31(27-8-4-19-33-21-27)22-34-20-18-25-10-14-28(15-11-25)36-41(38,39)30-16-12-26(13-17-30)32-35-29(23-40-32)9-3-7-24-5-1-2-6-24/h4,8,10-17,19,21,23-24,31,34,36-37H,1-3,5-7,9,18,20,22H2/t31-/m0/s1
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| InChIKey |
BPQOOUVCSNMRHV-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