Molecule card · MolClass #49366
24811678
24811678: 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
- 24811678Mitochondrial Fusion · compound_name
- MolClass ID
- 49366
- InChIKey
- CNCBMVFXKFLFMM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CNC(=O)CNC(N(Cc2ccccc2)Cc3ccccc3(F))=S
- Standard InChI
- InChI=1S/C25H26FN3OS/c1-19-11-13-20(14-12-19)15-27-24(30)16-28-25(31)29(17-21-7-3-2-4-8-21)18-22-9-5-6-10-23(22)26/h2-14H,15-18H2,1H3,(H,27,30)(H,28,31)
- Stored Murcko scaffold
- c1ccc(cc1)CN[CH]CN[CH]N(Cc2ccccc2)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.559 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.588
- 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 · 24811678