Molecule card · MolClass #49218
24817992
24817992: 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
- 24817992Mitochondrial Fusion · compound_name
- MolClass ID
- 49218
- InChIKey
- MZEAJESBFNEPLP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2cc4ccccc4(nc2N3CCOCC3)
- Standard InChI
- InChI=1S/C20H20N2O/c1-15-6-8-16(9-7-15)18-14-17-4-2-3-5-19(17)21-20(18)22-10-12-23-13-11-22/h2-9,14H,10-13H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2cc(-c3ccccc3)c1N4CCOCC4
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.
- 24816964#49203
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
- 25.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.159
- 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 · 24817992