Molecule card · MolClass #48951
24831507
24831507: 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
- 24831507Mitochondrial Fusion · compound_name
- MolClass ID
- 48951
- InChIKey
- VKABLMHTJPKPGN-XQNSMLJCSA-N
- Canonical SMILES
- CC(=NNC(=O)COc2ccccc2(c1ccccc1))c3ccccn3
- Standard InChI
- InChI=1S/C21H19N3O2/c1-16(19-12-7-8-14-22-19)23-24-21(25)15-26-20-13-6-5-11-18(20)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25)/b23-16+
- Stored Murcko scaffold
- N(=Cc1ncccc1)N[CH]COc2ccccc2-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.634
- 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 · 24831507