General Information of the Compound
| Compound ID |
CP0459675
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| Compound Name |
(R)-2-acetamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)benzoic acid
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| Structure |
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| Formula |
C25H25ClN2O5
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| Molecular Weight |
468.937
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| Canonical SMILES |
CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O
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| InChI |
InChI=1S/C25H25ClN2O5/c1-16(29)28-23-9-8-21(14-22(23)25(31)32)33-20-7-2-4-17(12-20)10-11-27-15-24(30)18-5-3-6-19(26)13-18/h2-9,12-14,24,27,30H,10-11,15H2,1H3,(H,28,29)(H,31,32)/t24-/m0/s1
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| InChIKey |
LRPRUBMGKCLLID-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