Molecule card · MolClass #52556
24827625
24827625: 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
- 24827625Mitochondrial Fusion · compound_name
- MolClass ID
- 52556
- InChIKey
- YHEVAESBVDQASK-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)Sc1ccc(cc1)NC(NC(c2ccccc2)c3ccccc3)=S
- Standard InChI
- InChI=1S/C21H18F2N2S2/c22-20(23)27-18-13-11-17(12-14-18)24-21(26)25-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19-20H,(H2,24,25,26)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NC(c2ccccc2)c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.511 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.204
- 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 · 24827625