Molecule card · MolClass #49491
24797749
24797749: 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
- 24797749Mitochondrial Fusion · compound_name
- MolClass ID
- 49491
- InChIKey
- VZNJKBBAYIQBMP-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)c1ccc(cc1)NC(NC(C)C2CCCO2)=S
- Standard InChI
- InChI=1S/C17H26N2OS/c1-4-12(2)14-7-9-15(10-8-14)19-17(21)18-13(3)16-6-5-11-20-16/h7-10,12-13,16H,4-6,11H2,1-3H3,(H2,18,19,21)
- Stored Murcko scaffold
- O1CCCC1CN[CH]Nc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.478
- 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 · 24797749