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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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 135536943
Search Google for chemical match using the InChIKey YPFZMBHKIVDSNR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey YPFZMBHKIVDSNR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YPFZMBHKIVDSNR-UHFFFAOYSA-N