Molecule card · MolClass #48034
24828774
24828774: 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
- 24828774Mitochondrial Fusion · compound_name
- MolClass ID
- 48034
- InChIKey
- QDIUBSQFBVGNHN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c3cnc(n3(c2ccccc2(F)))S
- Standard InChI
- InChI=1S/C16H13FN2S/c1-11-6-8-12(9-7-11)15-10-18-16(20)19(15)14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,20)
- Stored Murcko scaffold
- n1cc(-c2ccccc2)n(c1)-c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.771
- 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 · 24828774