Molecule card · MolClass #48581
14733960
14733960: 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
- 14733960Mitochondrial Fusion · compound_name
- MolClass ID
- 48581
- InChIKey
- ZWKBAZUIPQSORY-LFIBNONCSA-N
- Canonical SMILES
- CC(=NCCc1ccccc1)C=2C(=O)CCC=2(O)
- Standard InChI
- InChI=1S/C15H17NO2/c1-11(15-13(17)7-8-14(15)18)16-10-9-12-5-3-2-4-6-12/h2-6,17H,7-10H2,1H3/b16-11+
- Stored Murcko scaffold
- N(=CC=1[CH]CCC1)CCc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.694
- 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 · 14733960