Molecule card · MolClass #47993
24832774
24832774: 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
- 24832774Mitochondrial Fusion · compound_name
- MolClass ID
- 47993
- InChIKey
- WDASILDKNHAVRK-UHFFFAOYSA-N
- Canonical SMILES
- NN3C(=O)NC(c1ccccc1)(c2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C15H13N3O2/c16-18-13(19)15(17-14(18)20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2,(H,17,20)
- Stored Murcko scaffold
- [N]1[CH]NC([CH]1)(c2ccccc2)c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.407
- 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 · 24832774