Molecule card · MolClass #49550
24792757
24792757: 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
- 24792757Mitochondrial Fusion · compound_name
- MolClass ID
- 49550
- InChIKey
- LJVNVNPZKNOHEB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc1ccccc1)NNc3c4ccccc4(nc2ccccc23)
- Standard InChI
- InChI=1S/C21H17N3O/c25-20(14-15-8-2-1-3-9-15)23-24-21-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)21/h1-13H,14H2,(H,22,24)(H,23,25)
- Stored Murcko scaffold
- n1c2ccccc2c(NN[CH]Cc3ccccc3)c4ccccc14
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.639
- 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 · 24792757