Molecule card · MolClass #49333
24811675
24811675: 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
- 24811675Mitochondrial Fusion · compound_name
- MolClass ID
- 49333
- InChIKey
- RTKQOSNSJDXHTN-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CNC(N(Cc1ccccc1)Cc2ccccc2(F))=S)NCc3ccccc3
- Standard InChI
- InChI=1S/C24H24FN3OS/c25-22-14-8-7-13-21(22)18-28(17-20-11-5-2-6-12-20)24(30)27-16-23(29)26-15-19-9-3-1-4-10-19/h1-14H,15-18H2,(H,26,29)(H,27,30)
- 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
- 421.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.151
- 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 · 24811675