General Information of the Compound
| Compound ID |
CP0405174
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| Compound Name |
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(oxan-4-yloxy)benzoic acid
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| Structure |
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| Formula |
C28H31NO5
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| Molecular Weight |
461.558
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1
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| InChI |
InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/m0/s1
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| InChIKey |
RZNALFDDJKMHAG-SANMLTNESA-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