Molecule card · MolClass #42332
24807413
24807413: 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
- 24807413Mitochondrial Fusion · compound_name
- MolClass ID
- 42332
- InChIKey
- VQYOWZJUFOFYJJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)cc(CN2CCCC2)c4COCc34
- Standard InChI
- InChI=1S/C17H19NO/c1-2-6-15-13(5-1)9-14(10-18-7-3-4-8-18)16-11-19-12-17(15)16/h1-2,5-6,9H,3-4,7-8,10-12H2
- Stored Murcko scaffold
- O1Cc2c3ccccc3cc(c2C1)CN4CCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.941
- 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 · 24807413