Molecule card · MolClass #51776
14728754
14728754: 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
- 14728754Mitochondrial Fusion · compound_name
- MolClass ID
- 51776
- InChIKey
- LTDNSSBHKZWDOV-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C2CCN=C(O2)c3cc(cc(c3)Cl)Cl
- Standard InChI
- InChI=1S/C16H13Cl2NO/c17-13-8-12(9-14(18)10-13)16-19-7-6-15(20-16)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2
- Stored Murcko scaffold
- N1=C(OC(c2ccccc2)CC1)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
- 2
- 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
- 21.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.187 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.371
- 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 · 14728754