Molecule card · MolClass #45984
14743151
14743151: 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
- 14743151Mitochondrial Fusion · compound_name
- MolClass ID
- 45984
- InChIKey
- MFLIQXVINXZLJV-UHFFFAOYSA-N
- Canonical SMILES
- Oc1nc3ccccc3(nc1C(c2ccccc2)Cl)
- Standard InChI
- InChI=1S/C15H11ClN2O/c16-13(10-6-2-1-3-7-10)14-15(19)18-12-9-5-4-8-11(12)17-14/h1-9,13H,(H,18,19)
- Stored Murcko scaffold
- n1cc(nc2ccccc12)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.714 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.326
- 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 · 14743151