Molecule card · MolClass #42373
7972691
7972691: 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
- 7972691Mitochondrial Fusion · compound_name
- MolClass ID
- 42373
- InChIKey
- QOYGZOWMGMOHDW-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3nc(C)c(Cc1ccccc1)c(O)n3(n2)
- Standard InChI
- InChI=1S/C15H15N3O/c1-10-8-14-16-11(2)13(15(19)18(14)17-10)9-12-6-4-3-5-7-12/h3-8,19H,9H2,1-2H3
- Stored Murcko scaffold
- n1cc(cn2nccc12)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.
- 3037816#15884
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.112
- 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 · 7972691