Molecule card · MolClass #44203
14732069
14732069: 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
- 14732069Mitochondrial Fusion · compound_name
- MolClass ID
- 44203
- InChIKey
- BVLIDGAETAXMEG-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3ccccc3(N=C(c1ccc(c(c1)Cl)Cl)N2(O))
- Standard InChI
- InChI=1S/C14H8Cl2N2O2/c15-10-6-5-8(7-11(10)16)13-17-12-4-2-1-3-9(12)14(19)18(13)20/h1-7,20H
- Stored Murcko scaffold
- n1cc2ccccc2nc1-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.132 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.779
- 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 · 14732069