General Information of the Compound
| Compound ID |
CP0427871
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| Compound Name |
2-(2-ethoxyethoxy)-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C27H31NO5
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| Molecular Weight |
449.547
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| Canonical SMILES |
CCOCCOc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H31NO5/c1-2-32-16-17-33-26-18-23(12-13-24(26)27(30)31)21-10-8-20(9-11-21)14-15-28-19-25(29)22-6-4-3-5-7-22/h3-13,18,25,28-29H,2,14-17,19H2,1H3,(H,30,31)/t25-/m0/s1
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| InChIKey |
OFUJDCGBKGKNKP-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