Molecule card · MolClass #42760
24824286
24824286: 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
- 24824286Mitochondrial Fusion · compound_name
- MolClass ID
- 42760
- InChIKey
- IXOYMIUQSYKGNJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc2C(=O)NC(=O)c2(c1))c3ccc4ncsc4(c3)
- Standard InChI
- InChI=1S/C16H9N3O3S/c20-14(8-1-4-12-13(5-8)23-7-17-12)18-9-2-3-10-11(6-9)16(22)19-15(10)21/h1-7H,(H,18,20)(H,19,21,22)
- Stored Murcko scaffold
- n1csc2cc(ccc12)[CH]Nc3ccc4c[nH]cc4c3
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
- 6
- 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
- 116.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.88
- 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 · 24824286