tamsulosin   

GtoPdb Ligand ID: 488

Synonyms: (-)-YM617 | Flomax® | LY-253351 | Omnic® | tamsulosin hydrochloride
tamsulosin is an approved drug (FDA (1997))
Compound class: Synthetic organic
Comment: Tamsulosin is a selective α1A-adrenoceptor antagonist drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 108.26
Molecular weight 408.17
XLogP 2.32
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCOc1ccccc1OCCNC(Cc1ccc(c(c1)S(=O)(=O)N)OC)C
Isomeric SMILES CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C
InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
InChI Key DRHKJLXJIQTDTD-OAHLLOKOSA-N

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Similar Ligands
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