Molecule card · MolClass #43540
14735303
14735303: 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
- 14735303Mitochondrial Fusion · compound_name
- MolClass ID
- 43540
- InChIKey
- ZXKOAEFLOOLDJF-UHFFFAOYSA-N
- Canonical SMILES
- CCC(Cc1ccccc1)NC(=O)CCn2cccc2
- Standard InChI
- InChI=1S/C17H22N2O/c1-2-16(14-15-8-4-3-5-9-15)18-17(20)10-13-19-11-6-7-12-19/h3-9,11-12,16H,2,10,13-14H2,1H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc(cc1)CCN[CH]CCn2cccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.139
- 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 · 14735303