Molecule card · MolClass #48059
24838007
24838007: 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
- 24838007Mitochondrial Fusion · compound_name
- MolClass ID
- 48059
- InChIKey
- IVESBMVHBKDNPC-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(c(C)n2(Cc1ccccc1))c4csc(NC(=O)c3ccc(O)nc3)n4
- Standard InChI
- InChI=1S/C22H20N4O2S/c1-14-10-18(15(2)26(14)12-16-6-4-3-5-7-16)19-13-29-22(24-19)25-21(28)17-8-9-20(27)23-11-17/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,25,28)
- Stored Murcko scaffold
- n1cccc(c1)[CH]Nc2nc(cs2)-c3ccn(c3)Cc4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.487 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.1
- 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 · 24838007