Molecule card · MolClass #49020
24830258
24830258: 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
- 24830258Mitochondrial Fusion · compound_name
- MolClass ID
- 49020
- InChIKey
- DNFFPBKFHTVMKK-YBFXNURJSA-N
- Canonical SMILES
- c4ccc(C=NNC1=Nc3cccc2cccc1c23)nc4
- Standard InChI
- InChI=1S/C17H12N4/c1-2-10-18-13(7-1)11-19-21-17-14-8-3-5-12-6-4-9-15(20-17)16(12)14/h1-11H,(H,20,21)/b19-11+
- Stored Murcko scaffold
- N(=Cc1ncccc1)NC2=Nc3cccc4cccc2c34
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.101
- 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 · 24830258