Molecule card · MolClass #52542
842926
842926: 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
- 842926Mitochondrial Fusion · compound_name
- MolClass ID
- 52542
- InChIKey
- DMPRWZNQWGPBQH-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c4c1CCCc1sc4(N=C3CCCN23)
- Standard InChI
- InChI=1S/C12H12N2OS/c15-12-10-7-3-1-4-8(7)16-11(10)13-9-5-2-6-14(9)12/h1-6H2
- Stored Murcko scaffold
- N=1c2sc3c(c2[CH]N4C1CCC4)CCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.303 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.553
- 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 · 842926