Molecule card · MolClass #48925
24835408
24835408: 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
- 24835408Mitochondrial Fusion · compound_name
- MolClass ID
- 48925
- InChIKey
- FTIUOGWFBBKQAY-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc1cccs1)c3nc(nc2ccccc23)c4cccnc4
- Standard InChI
- InChI=1S/C19H16N4S/c1-23(13-15-7-5-11-24-15)19-16-8-2-3-9-17(16)21-18(22-19)14-6-4-10-20-12-14/h2-12H,13H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)-c2nc3ccccc3c(n2)NCc4sccc4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.57
- 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 · 24835408