General Information of the Compound
| Compound ID |
CP0440523
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| Compound Name |
4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-3-isopropoxy-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C26H29NO5
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| Molecular Weight |
435.52
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H29NO5/c1-18(2)32-25-16-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-15-14-27-17-24(28)20-6-4-3-5-7-20/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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| InChIKey |
HNRGQQGBWULWOO-DEOSSOPVSA-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