Basic information
- Standard SMILES
CSc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1- InChIKey
DYBYBSJVJPDSSC-UHFFFAOYSA-N- Molecular formula
- C23H18FN3O2S3
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.05451851
Names & identifiers
- Preferred name
- 1-(4-(2-(Methylthio)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea
- IUPAC
- N-[[3-fluoro-4-(2-methylsulfanylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamothioyl]-2-phenylacetamide
Names & synonyms
CHEMBL256920SCHEMBL3620253BDBM24488DYBYBSJVJPDSSC-UHFFFAOYSA-Nthieno[3,2-b]pyridine-based inhibitor, 6c1-(4-(2-(Methylthio)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea3-(3-fluoro-4-{[2-(methylsulfanyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
Database identifiers
- PubChem CID
- 24901700
- ChEMBL
CHEMBL256920
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Related reactions
7 records
Compound notes
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