General Information of the Compound
| Compound ID |
CP0401170
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| Compound Name |
(R)-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenoxy)-2-methoxybenzoic acid
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| Structure |
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| Formula |
C23H24N2O5
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| Molecular Weight |
408.454
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| Canonical SMILES |
COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(O)=O
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| InChI |
InChI=1S/C23H24N2O5/c1-29-22-8-7-19(13-20(22)23(27)28)30-18-6-2-4-16(12-18)9-11-25-15-21(26)17-5-3-10-24-14-17/h2-8,10,12-14,21,25-26H,9,11,15H2,1H3,(H,27,28)/t21-/m0/s1
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| InChIKey |
KKJKFIXAOCPHCK-NRFANRHFSA-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