gisadenafil   Click here for help

GtoPdb Ligand ID: 6558

Synonyms: UK 369003 | UK-369003
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 143.92
Molecular weight 519.23
XLogP 2.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC
Isomeric SMILES COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC
InChI InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
InChI Key YPFZMBHKIVDSNR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[3,4-e]pyrimidin-7-one
International Nonproprietary Names Click here for help
INN number INN
9140 gisadenafil
Synonyms Click here for help
UK 369003 | UK-369003
Database Links Click here for help
CAS Registry No. 334826-98-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1928262
GtoPdb PubChem SID 178103172
PubChem CID 9892860
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