General Information of the Compound
| Compound ID |
CP0420505
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| Compound Name |
5-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1
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| InChIKey |
UOTZJBMSOVLQAQ-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor