GW803430   Click here for help

GtoPdb Ligand ID: 4033

Synonyms: GW 803430 | GW-803,430
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 84.31
Molecular weight 481.12
XLogP 4.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl
Isomeric SMILES COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl
InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
InChI Key MWULMTACIBZPGN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-e]pyrimidin-4-one
Synonyms Click here for help
GW 803430 | GW-803,430
Database Links Click here for help
CAS Registry No. 515141-51-2 (source: Scifinder)
ChEMBL Ligand CHEMBL214957
GtoPdb PubChem SID 178100858
PubChem CID 9826520
Search Google for chemical match using the InChIKey MWULMTACIBZPGN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MWULMTACIBZPGN
Search UniChem for chemical match using the InChIKey MWULMTACIBZPGN-UHFFFAOYSA-N
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Wikipedia GW-803,430

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Tocris
GW 803430
Cat. No. 4242