Molecule card · MolClass #51815
14727512
14727512: 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
- 14727512Mitochondrial Fusion · compound_name
- MolClass ID
- 51815
- InChIKey
- VFEYGBMPYOIKSU-UHFFFAOYSA-N
- Canonical SMILES
- CCC4(C)(OCC(Cn2c3ccccc3(c1ccccc12))O4)
- Standard InChI
- InChI=1S/C19H21NO2/c1-3-19(2)21-13-14(22-19)12-20-17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,14H,3,12-13H2,1-2H3
- Stored Murcko scaffold
- O1COC(C1)Cn2c3ccccc3c4ccccc42
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.654
- 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 · 14727512