Molecule card · MolClass #48295
22403930
22403930: 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
- 22403930Mitochondrial Fusion · compound_name
- MolClass ID
- 48295
- InChIKey
- MHOMMUILWJPQIV-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)C(=N)NC(=O)c2ccccc2
- Standard InChI
- InChI=1S/C13H18N4O/c1-16-7-9-17(10-8-16)13(14)15-12(18)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,14,15,18)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]N2CCNCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.931
- 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 · 22403930