General Information of the Compound
| Compound ID |
CP0403282
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| Compound Name |
Solabegron
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| Synonyms |
(1,1'-Biphenyl)-3-carboxylic acid, 3'-((2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-, hydrochloride
3'-[(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]biphenyl-3-carboxylic acid hydrochloride
BCP28076
CHEMBL2107299
D05879
GU14FR8D4A
GW 427353B
GW-427353
GW427353B
PMXCGBVBIRYFPR-FTBISJDPSA-N
SCHEMBL565177
Solabegron HCl
Solabegron Hydrochloride
Solabegron hydrochloride (USAN)
Solabegron hydrochloride [USAN]
UNII-GU14FR8D4A
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| Structure |
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| Formula |
C23H23ClN2O3
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| Molecular Weight |
410.901
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| Canonical SMILES |
O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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| InChIKey |
LLDXOPKUNJTIRF-QFIPXVFZSA-N
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| CAS |
252920-94-8
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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