Molecule card · MolClass #52041
4263662
4263662: 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
- 4263662Mitochondrial Fusion · compound_name
- MolClass ID
- 52041
- InChIKey
- MZLLADLBCUWXKL-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1N3C(=O)Oc2ccc(cc2C3(=O))Cl
- Standard InChI
- InChI=1S/C15H10ClNO4/c1-20-13-5-3-2-4-11(13)17-14(18)10-8-9(16)6-7-12(10)21-15(17)19/h2-8H,1H3
- Stored Murcko scaffold
- O1[CH]N([CH]c2ccccc12)c3ccccc3
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
- 3
- 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
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.698 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.257
- 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 · 4263662