Molecule card · MolClass #41345
4262375
4262375: 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
- 4262375Mitochondrial Fusion · compound_name
- MolClass ID
- 41345
- InChIKey
- BHTAVZKOVCKAAO-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccsc3(CNn1cnnc1SCc2ccccc2(F))
- Standard InChI
- InChI=1S/C15H15FN4S2/c1-11-6-7-21-14(11)8-18-20-10-17-19-15(20)22-9-12-4-2-3-5-13(12)16/h2-7,10,18H,8-9H2,1H3
- Stored Murcko scaffold
- n1nc(SCc2ccccc2)n(c1)NCc3sccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.097
- 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 · 4262375