Molecule card · MolClass #49083
24826481
24826481: 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
- 24826481Mitochondrial Fusion · compound_name
- MolClass ID
- 49083
- InChIKey
- GTZWPRRTNWLEBM-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N(c1ccccc1)C(NC2CCCCC2)=S
- Standard InChI
- InChI=1S/C16H24N2S/c1-13(2)18(15-11-7-4-8-12-15)16(19)17-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- [N]([CH]NC1CCCCC1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.442 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.965
- 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 · 24826481