Molecule card · MolClass #51498
14740388
14740388: 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
- 14740388Mitochondrial Fusion · compound_name
- MolClass ID
- 51498
- InChIKey
- FZLOFGGQWPILIQ-LICLKQGHSA-N
- Canonical SMILES
- c1ccc(cc1)Oc3cccc(C=Nn2cnnc2S)c3
- Standard InChI
- InChI=1S/C15H12N4OS/c21-15-18-16-11-19(15)17-10-12-5-4-8-14(9-12)20-13-6-2-1-3-7-13/h1-11H,(H,18,21)/b17-10+
- Stored Murcko scaffold
- n1ncn(N=Cc2cccc(Oc3ccccc3)c2)c1
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.
- 3714907#52250
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.846
- 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 · 14740388