Molecule card · MolClass #44254
14725290
14725290: 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
- 14725290Mitochondrial Fusion · compound_name
- MolClass ID
- 44254
- InChIKey
- HZVSMZWSNYLOEL-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C4C1C=CC(C1)C4(C(=O)N3(CNc2ccccn2))
- Standard InChI
- InChI=1S/C15H15N3O2/c19-14-12-9-4-5-10(7-9)13(12)15(20)18(14)8-17-11-3-1-2-6-16-11/h1-6,9-10,12-13H,7-8H2,(H,16,17)
- Stored Murcko scaffold
- n1ccccc1NCN2[CH]C3C4C=CC(C4)C3[CH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.21
- 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 · 14725290