Molecule card · MolClass #38865
4264374
4264374: 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
- 4264374Mitochondrial Fusion · compound_name
- MolClass ID
- 38865
- InChIKey
- LGQFSSSTZLKIRM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2oc1ccccc1c2c3cn4CCSc4(n3)
- Standard InChI
- InChI=1S/C14H12N2OS/c1-9-13(10-4-2-3-5-12(10)17-9)11-8-16-6-7-18-14(16)15-11/h2-5,8H,6-7H2,1H3
- Stored Murcko scaffold
- n1c(cn2c1SCC2)-c3coc4ccccc43
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.204
- 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 · 4264374