Basic information
- CAS
889946-21-8- Standard SMILES
O=C(O)CCSc1nnc(-c2ccc(Cl)cc2Cl)o1- InChIKey
OZTSRUDYAVAAAW-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2O3S
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 317.9632687
Names & identifiers
- Preferred name
- 3-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic Acid
- IUPAC
- 3-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
- English name
- 3-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
- Molecular formula
- C11H8Cl2N2O3S
- Molecular weight
- 319.16382
Names & synonyms
889946-21-8CCG-581503-((5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)thio)propanoic acid3-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic Acid3-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acidOZTSRUDYAVAAAW-UHFFFAOYSA-Norb1741049CHEMBL1396641SCHEMBL17063579HMS1809F10STK522278AKOS000638285
Show more names
NCGC00103142-01T68431AP-853/43368053Z2651653076
Database identifiers
- CAS
889946-21-8- PubChem CID
- 6472851
- ChEMBL
CHEMBL1396641
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Chemistry & industry
Applications
DescriptionCCG-58150 is a potentiInhibitor of Rho/Myocardin-Related Transcription Factor (MRTF)/Serum Response Factor (SRF)-Mediated Gene Transcription_x000D_ as Potential Antifibrotic Agents for Scleroderma.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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