Molecule card · MolClass #41554
24812918
24812918: 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
- 24812918Mitochondrial Fusion · compound_name
- MolClass ID
- 41554
- InChIKey
- QQIACMOUNKLFJC-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1cccnc1C(Nc2ccc(cc2)Cl)N4(Cc3cccs3)
- Standard InChI
- InChI=1S/C18H14ClN3OS/c19-12-5-7-13(8-6-12)21-17-16-15(4-1-9-20-16)18(23)22(17)11-14-3-2-10-24-14/h1-10,17,21H,11H2
- Stored Murcko scaffold
- n1cccc2[CH]N(Cc3sccc3)C(Nc4ccccc4)c12
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.843 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.186
- 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 · 24812918