Molecule card · MolClass #41265
14731707
14731707: 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
- 14731707Mitochondrial Fusion · compound_name
- MolClass ID
- 41265
- InChIKey
- YEZGFUBROKMHAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(c1ccco1)n(CC(=O)NCc2ccccc2)n3
- Standard InChI
- InChI=1S/C17H17N3O2/c1-13-10-15(16-8-5-9-22-16)20(19-13)12-17(21)18-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,21)
- Stored Murcko scaffold
- n1ccc(-c2occc2)n1C[CH]NCc3ccccc3
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.
No other molecules currently have this stored scaffold.
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.313
- 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 · 14731707