General Information of the Compound
| Compound ID |
CP0496357
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| Compound Name |
4-[5-(3-Cyclohexyl-propyl)-[1,2,4]oxadiazol-3-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 |
C32H39N5O4S
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| Molecular Weight |
589.762
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C32H39N5O4S/c38-30(27-9-5-20-33-22-27)23-34-21-19-25-11-15-28(16-12-25)37-42(39,40)29-17-13-26(14-18-29)32-35-31(41-36-32)10-4-8-24-6-2-1-3-7-24/h5,9,11-18,20,22,24,30,34,37-38H,1-4,6-8,10,19,21,23H2/t30-/m0/s1
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| InChIKey |
LJZAWANAPKNWFU-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