General Information of the Compound
| Compound ID |
CP0071877
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| Compound Name |
(+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid
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| Synonyms |
116049-78-6
2-(4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)acetic acid
2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
42FZ27IZLV
Acetic acid, (4-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)-
Acetic acid, 2-(4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)-
BDBM50002133
BRL 37344
BRL-44092
BRL37344
Brl-37344
CHEBI:131180
CHEMBL284782
GTPL567
SB 206606
SB-206606
SCHEMBL304308
UNII-42FZ27IZLV
ZINC3871771
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| Structure |
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| Formula |
C19H22ClNO4
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| Molecular Weight |
363.841
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| Canonical SMILES |
C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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| InChIKey |
ZGGNJJJYUVRADP-ACJLOTCBSA-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
Clinical Information about the Compound