General Information of the Compound
| Compound ID |
CP0418060
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| Compound Name |
(R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C26H30N2O3
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| Molecular Weight |
418.537
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| Canonical SMILES |
CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C26H30N2O3/c1-18(2)14-23-15-21(9-10-24(23)26(30)31)20-7-5-19(6-8-20)11-13-28-17-25(29)22-4-3-12-27-16-22/h3-10,12,15-16,18,25,28-29H,11,13-14,17H2,1-2H3,(H,30,31)/t25-/m0/s1
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| InChIKey |
RIDJNBLBTJSDHV-VWLOTQADSA-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