Molecule card · MolClass #49615
24791059
24791059: 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
- 24791059Mitochondrial Fusion · compound_name
- MolClass ID
- 49615
- InChIKey
- QYFFDMJWRKDSJF-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(nc1)c4nc2ccccn2c4(NC3CCCC3)
- Standard InChI
- InChI=1S/C17H18N4/c1-2-8-13(7-1)19-17-16(14-9-3-5-11-18-14)20-15-10-4-6-12-21(15)17/h3-6,9-13,19H,1-2,7-8H2
- Stored Murcko scaffold
- n1ccccc1-c2nc3ccccn3c2NC4CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.071
- 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 · 24791059