General Information of the Compound
| Compound ID |
CP0404917
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| Compound Name |
3-(cyclohexyloxy)-4'-((S)-3-hydroxy-2-((R)-2-hydroxy-2-phenylethylamino)propyl)-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C31H38N2O6S
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| Molecular Weight |
566.72
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(C[C@@H](CO)NC[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H38N2O6S/c1-40(37,38)33-31(36)28-17-16-25(19-30(28)39-27-10-6-3-7-11-27)23-14-12-22(13-15-23)18-26(21-34)32-20-29(35)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,19,26-27,29,32,34-35H,3,6-7,10-11,18,20-21H2,1H3,(H,33,36)/t26-,29-/m0/s1
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| InChIKey |
AYJDIOYHPHNQIK-WNJJXGMVSA-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: PT01493, Beta-3 adrenergic receptor