Molecule card · MolClass #36841
24812454
24812454: 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
- 24812454Mitochondrial Fusion · compound_name
- MolClass ID
- 36841
- InChIKey
- DYWAGJFJOGHVDP-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C1CCCN1C(c2cccs2)N3c4ccc(F)cc4
- Standard InChI
- InChI=1S/C16H15FN2OS/c17-11-5-7-12(8-6-11)19-15(14-4-2-10-21-14)18-9-1-3-13(18)16(19)20/h2,4-8,10,13,15H,1,3,9H2
- Stored Murcko scaffold
- s1cccc1C2N([CH]C3N2CCC3)c4ccccc4
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
- 51.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.515
- 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 · 24812454