Molecule card · MolClass #43999
4255371
4255371: 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
- 4255371Mitochondrial Fusion · compound_name
- MolClass ID
- 43999
- InChIKey
- QTSVSHZDVQRJCV-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cn1c(nnc1S2)c3cc4ccccc4(cc3(O))
- Standard InChI
- InChI=1S/C15H13N3OS/c1-9-8-18-14(16-17-15(18)20-9)12-6-10-4-2-3-5-11(10)7-13(12)19/h2-7,9,19H,8H2,1H3
- Stored Murcko scaffold
- n1nc(-c2ccc3ccccc3c2)n4c1SCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.94
- 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 · 4255371