Molecule card · MolClass #51648
14733732
14733732: 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
- 14733732Mitochondrial Fusion · compound_name
- MolClass ID
- 51648
- InChIKey
- QKFZDNJFVZIPAI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(=O)c3ccc(COc2ccc(cc2Cl)Cl)o3
- Standard InChI
- InChI=1S/C18H14Cl2N2O3/c1-11-3-2-4-17(21-11)22-18(23)16-8-6-13(25-16)10-24-15-7-5-12(19)9-14(15)20/h2-9H,10H2,1H3,(H,21,22,23)
- Stored Murcko scaffold
- n1ccccc1N[CH]c2oc(cc2)COc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.363
- 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 · 14733732