Molecule card · MolClass #37831
24816225
24816225: 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
- 24816225Mitochondrial Fusion · compound_name
- MolClass ID
- 37831
- InChIKey
- UTBDXLUBBFOGBE-UHFFFAOYSA-N
- Canonical SMILES
- c1cncc(c1)CSc3nnc2ccc(nn23)c4ccncc4
- Standard InChI
- InChI=1S/C16H12N6S/c1-2-12(10-18-7-1)11-23-16-20-19-15-4-3-14(21-22(15)16)13-5-8-17-9-6-13/h1-10H,11H2
- Stored Murcko scaffold
- n1nc2ccc(nn2c1SCc3cnccc3)-c4ccncc4
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
- 5
- 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
- 94.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.667
- 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 · 24816225