Molecule card · MolClass #36249
14732025
14732025: 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
- 14732025Mitochondrial Fusion · compound_name
- MolClass ID
- 36249
- InChIKey
- KVZJLVOIDJMGOM-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)C3=C(OCC2COc1ccc(cc1C23)Cl)N(C)C4(=O)
- Standard InChI
- InChI=1S/C16H15ClN2O4/c1-18-14(20)13-12-8(7-23-15(13)19(2)16(18)21)6-22-11-4-3-9(17)5-10(11)12/h3-5,8,12H,6-7H2,1-2H3
- Stored Murcko scaffold
- n1cnc2OCC3COc4ccccc4C3c2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.666
- 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 · 14732025