Molecule card · MolClass #47855
4261916
4261916: 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
- 4261916Mitochondrial Fusion · compound_name
- MolClass ID
- 47855
- InChIKey
- YKMHHZQAVAJTTE-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2cc(O)n3nc(Cc1ccccc1)nc3(n2)
- Standard InChI
- InChI=1S/C15H16N4O/c1-2-6-12-10-14(20)19-15(16-12)17-13(18-19)9-11-7-4-3-5-8-11/h3-5,7-8,10,20H,2,6,9H2,1H3
- Stored Murcko scaffold
- n1cccn2nc(nc12)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.22
- 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 · 4261916