Molecule card · MolClass #41405
24824375
24824375: 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
- 24824375Mitochondrial Fusion · compound_name
- MolClass ID
- 41405
- InChIKey
- ITYFHHUQFCMESC-OQLLNIDSSA-N
- Canonical SMILES
- COc3ccccc3(NC=C2C(=O)Nc1ccc(cc1S2)Cl)
- Standard InChI
- InChI=1S/C16H13ClN2O2S/c1-21-13-5-3-2-4-11(13)18-9-15-16(20)19-12-7-6-10(17)8-14(12)22-15/h2-9,18H,1H3,(H,19,20)/b15-9+
- Stored Murcko scaffold
- S1C(=CNc2ccccc2)[CH]Nc3ccccc13
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.806 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.514
- 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 · 24824375