Molecule card · MolClass #45446
24786429
24786429: 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
- 24786429Mitochondrial Fusion · compound_name
- MolClass ID
- 45446
- InChIKey
- DKVMDBSQBOIJMP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)NC3C(=O)NNC3(c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C17H16ClN3O2/c1-10-3-2-4-12(9-10)16(22)19-15-14(20-21-17(15)23)11-5-7-13(18)8-6-11/h2-9,14-15,20H,1H3,(H,19,22)(H,21,23)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC2[CH]NNC2c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.781 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.427
- 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 · 24786429