tasosartan   Click here for help

GtoPdb Ligand ID: 6898

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 100.55
Molecular weight 411.18
XLogP 4.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2
Isomeric SMILES Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2
InChI InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)
InChI Key ADXGNEYLLLSOAR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[6,5-d]pyrimidin-7-one
International Nonproprietary Names Click here for help
INN number INN
7334 tasosartan
Database Links Click here for help
CAS Registry No. 145733-36-4 (source: Scifinder)
ChEMBL Ligand CHEMBL432162
DrugBank Ligand DB01349
DrugCentral Ligand 3839
GtoPdb PubChem SID 178103480
PubChem CID 60919
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