Molecule card · MolClass #37356
4265421
4265421: 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
- 4265421Mitochondrial Fusion · compound_name
- MolClass ID
- 37356
- InChIKey
- NFRGIKMRXSNQRY-UHFFFAOYSA-N
- Canonical SMILES
- Cc4noc(C)c4(CSc3nnc2ccc1ccccc1n23)
- Standard InChI
- InChI=1S/C16H14N4OS/c1-10-13(11(2)21-19-10)9-22-16-18-17-15-8-7-12-5-3-4-6-14(12)20(15)16/h3-8H,9H2,1-2H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SCc4cnoc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.421
- 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 · 4265421