Molecule card · MolClass #42439
7970672
7970672: 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
- 7970672Mitochondrial Fusion · compound_name
- MolClass ID
- 42439
- InChIKey
- WNJTVFQILBSNFP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C2=CN=C1N(CCS1)C2(=O))N4CCc3ccccc34
- Standard InChI
- InChI=1S/C15H13N3O2S/c19-13(17-6-5-10-3-1-2-4-12(10)17)11-9-16-15-18(14(11)20)7-8-21-15/h1-4,9H,5-8H2
- Stored Murcko scaffold
- N=1C=C([CH]N2C1SCC2)[CH]N3c4ccccc4CC3
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.
- 7970380#41290
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.526
- 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 · 7970672