Molecule card · MolClass #47827
24824661
24824661: 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
- 24824661Mitochondrial Fusion · compound_name
- MolClass ID
- 47827
- InChIKey
- WZEZZXFWGLDBLY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)CSc3nnc2ccccn23
- Standard InChI
- InChI=1S/C12H11N5O2S/c1-8-6-9(16-19-8)13-11(18)7-20-12-15-14-10-4-2-3-5-17(10)12/h2-6H,7H2,1H3,(H,13,16,18)
- Stored Murcko scaffold
- n1nc2ccccn2c1SC[CH]Nc3nocc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.283
- 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 · 24824661