General Information of the Compound
| Compound ID |
CP0443397
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| Compound Name |
4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethyl]amino}ethyl)-3-ethoxy-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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| Canonical SMILES |
CCOc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
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| InChI |
InChI=1S/C25H30N4O5S/c1-3-34-24-14-19(8-9-20(24)25(31)29-35(2,32)33)18-6-4-17(5-7-18)10-12-28-16-23(30)21-15-27-13-11-22(21)26/h4-9,11,13-15,23,28,30H,3,10,12,16H2,1-2H3,(H2,26,27)(H,29,31)/t23-/m0/s1
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| InChIKey |
MNNKHSCZTWBKSS-QHCPKHFHSA-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