Molecule card · MolClass #39579
7972483
7972483: 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
- 7972483Mitochondrial Fusion · compound_name
- MolClass ID
- 39579
- InChIKey
- QBOGNXYNFGASOG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1c(CC(C)C)csc1(NC=O)
- Standard InChI
- InChI=1S/C12H17NO3S/c1-4-16-12(15)10-9(5-8(2)3)6-17-11(10)13-7-14/h6-8H,4-5H2,1-3H3,(H,13,14)
- Stored Murcko scaffold
- s1cccc1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.897
- 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 · 7972483