Molecule card · MolClass #51967
7976991
7976991: 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
- 7976991Mitochondrial Fusion · compound_name
- MolClass ID
- 51967
- InChIKey
- FSNNDSGFFABAIQ-UHFFFAOYSA-N
- Canonical SMILES
- CCn4c(CSc2nc1ccccc1s2)nc3ccccc34
- Standard InChI
- InChI=1S/C17H15N3S2/c1-2-20-14-9-5-3-7-12(14)18-16(20)11-21-17-19-13-8-4-6-10-15(13)22-17/h3-10H,2,11H2,1H3
- Stored Murcko scaffold
- n1c(sc2ccccc12)SCc3nc4ccccc4[nH]3
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
- 2
- 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
- 84.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.783
- 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 · 7976991