Molecule card · MolClass #37823
14731349
14731349: 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
- 14731349Mitochondrial Fusion · compound_name
- MolClass ID
- 37823
- InChIKey
- QFTFZZJYAPSZFF-UHFFFAOYSA-N
- Canonical SMILES
- OC1CCCN(C1)Cc2ccc3ccc4cccc5ccc2c3c45
- Standard InChI
- InChI=1S/C22H21NO/c24-19-5-2-12-23(14-19)13-18-9-8-17-7-6-15-3-1-4-16-10-11-20(18)22(17)21(15)16/h1,3-4,6-11,19,24H,2,5,12-14H2
- Stored Murcko scaffold
- c1cc2ccc3ccc(c4ccc(c1)c2c34)CN5CCCCC5
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.731
- 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 · 14731349