General Information of the Compound
| Compound ID |
CP0373737
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)biphenyl-2-carboxamide
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| Structure |
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| Formula |
C28H27N3O2
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| Molecular Weight |
437.543
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C28H27N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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| InChIKey |
LMXDOEYEXPQYLB-MHZLTWQESA-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