Molecule card · MolClass #48923
24835835
24835835: 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
- 24835835Mitochondrial Fusion · compound_name
- MolClass ID
- 48923
- InChIKey
- BGZSWNSEDYLNKW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2cc(c3ccccc3(n2))c4nnc(n4(C))S
- Standard InChI
- InChI=1S/C19H16N4S/c1-12-7-9-13(10-8-12)17-11-15(18-21-22-19(24)23(18)2)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H,22,24)
- Stored Murcko scaffold
- n1nc([nH]c1)-c2cc(nc3ccccc32)-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.263
- 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 · 24835835