General Information of the Compound
| Compound ID |
CP0488218
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| Compound Name |
(R)-4'-(2-(2-(6-acetamidopyridin-3-yl)-2-hydroxyethylamino)ethyl)-3-(cyclohexyloxy)-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C31H38N4O6S
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| Molecular Weight |
594.734
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| Canonical SMILES |
CC(=O)Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1
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| InChI |
InChI=1S/C31H38N4O6S/c1-21(36)34-30-15-13-25(19-33-30)28(37)20-32-17-16-22-8-10-23(11-9-22)24-12-14-27(31(38)35-42(2,39)40)29(18-24)41-26-6-4-3-5-7-26/h8-15,18-19,26,28,32,37H,3-7,16-17,20H2,1-2H3,(H,35,38)(H,33,34,36)/t28-/m0/s1
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| InChIKey |
NPMHCLUKCHOBFR-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: PT01493, Beta-3 adrenergic receptor