Molecule card · MolClass #48913
24837939
24837939: 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
- 24837939Mitochondrial Fusion · compound_name
- MolClass ID
- 48913
- InChIKey
- IKCQYPIFZFLJAS-UHFFFAOYSA-N
- Canonical SMILES
- Oc3nc(nc2c3(cc(c1ccccc1)s2))c4ccccn4
- Standard InChI
- InChI=1S/C17H11N3OS/c21-16-12-10-14(11-6-2-1-3-7-11)22-17(12)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21)
- Stored Murcko scaffold
- n1ccccc1-c2ncc3cc(sc3n2)-c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.346
- 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 · 24837939