Molecule card · MolClass #41194
24812140
24812140: 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
- 24812140Mitochondrial Fusion · compound_name
- MolClass ID
- 41194
- InChIKey
- XHHRUGMQLYCAMU-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CSC(c1ccccn1)N2c3ccc(F)cc3(F)
- Standard InChI
- InChI=1S/C14H10F2N2OS/c15-9-4-5-12(10(16)7-9)18-13(19)8-20-14(18)11-3-1-2-6-17-11/h1-7,14H,8H2
- Stored Murcko scaffold
- n1ccccc1C2SC[CH]N2c3ccccc3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.265
- 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 · 24812140