Molecule card · MolClass #35605
24831318
24831318: 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
- 24831318Mitochondrial Fusion · compound_name
- MolClass ID
- 35605
- InChIKey
- IRMAUDVFLQWINN-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C=CC2=NC(=CC(=O)N2(C=1))CSc4nnc3ccccn34
- Standard InChI
- InChI=1S/C16H13N5OS/c1-11-5-6-13-17-12(8-15(22)21(13)9-11)10-23-16-19-18-14-4-2-3-7-20(14)16/h2-9H,10H2,1H3
- Stored Murcko scaffold
- n1nc2ccccn2c1SCC=3N=C4C=CC=CN4[CH]C3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.04
- 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 · 24831318