Molecule card · MolClass #47593
4264965
4264965: 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
- 4264965Mitochondrial Fusion · compound_name
- MolClass ID
- 47593
- InChIKey
- LSCXQMZADAYXMH-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cnc3nc(Cc1ccccc1)nn3(c2(O))
- Standard InChI
- InChI=1S/C15H14N4O3/c1-2-22-14(21)11-9-16-15-17-12(18-19(15)13(11)20)8-10-6-4-3-5-7-10/h3-7,9,20H,2,8H2,1H3
- Stored Murcko scaffold
- n1cccn2nc(nc12)Cc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.871
- 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 · 4264965