Molecule card · MolClass #45059
14741273
14741273: 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
- 14741273Mitochondrial Fusion · compound_name
- MolClass ID
- 45059
- InChIKey
- ZGIAVNDKPDSLIA-UHFFFAOYSA-N
- Canonical SMILES
- O=C1c5ccccc5(C(=O)C(=C1N2CCOCC2)n4nnc3ccccc34)
- Standard InChI
- InChI=1S/C20H16N4O3/c25-19-13-5-1-2-6-14(13)20(26)18(17(19)23-9-11-27-12-10-23)24-16-8-4-3-7-15(16)21-22-24/h1-8H,9-12H2
- Stored Murcko scaffold
- n1nn(c2ccccc12)-c3cc4ccccc4cc3N5CCOCC5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.567
- 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 · 14741273