Molecule card · MolClass #47574
4256525
4256525: 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
- 4256525Mitochondrial Fusion · compound_name
- MolClass ID
- 47574
- InChIKey
- RQZBKQPPAFACII-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cc(NC(=O)N1CCOCC1)c(C)nc2(C)
- Standard InChI
- InChI=1S/C15H21N3O4/c1-4-22-14(19)12-9-13(11(3)16-10(12)2)17-15(20)18-5-7-21-8-6-18/h9H,4-8H2,1-3H3,(H,17,20)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]N2CCOCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.395
- 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 · 4256525