Molecule card · MolClass #47803
7967534
7967534: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7967534Mitochondrial Fusion · compound_name
- MolClass ID
- 47803
- InChIKey
- YMPJMTCPQXYCKS-UHFFFAOYSA-N
- Canonical SMILES
- CCc1nccn1S(=O)(=O)c2ccc(OC)c(c2)OC
- Standard InChI
- InChI=1S/C13H16N2O4S/c1-4-13-14-7-8-15(13)20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-9H,4H2,1-3H3
- Stored Murcko scaffold
- n1ccn(Sc2ccccc2)c1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.364
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7967534