Molecule card · MolClass #47309
7973781
7973781: 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
- 7973781Mitochondrial Fusion · compound_name
- MolClass ID
- 47309
- InChIKey
- APWHYIPFRFZGGK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN2CC3CC(C2)C4=CC=CC(=O)N4(C3)
- Standard InChI
- InChI=1S/C19H22N2O/c1-14-5-7-15(8-6-14)10-20-11-16-9-17(13-20)18-3-2-4-19(22)21(18)12-16/h2-8,16-17H,9-13H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2CC3C4=CC=C[CH]N4CC(C2)C3
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.
- ZINC20503296#23819
- 4256911#42755
- CCN(CC)c1ccc(CN2CC3CC(C2)C2=CC=CC(=O)N2C3)cc1#153511
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
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.135
- 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 · 7973781