Molecule card · MolClass #36946
24808412
24808412: 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
- 24808412Mitochondrial Fusion · compound_name
- MolClass ID
- 36946
- InChIKey
- HMULOVNVVSBHEW-UHFFFAOYSA-N
- Canonical SMILES
- c1ccn3c(c1)cnc3(c2ccc(cc2Cl)Cl)
- Standard InChI
- InChI=1S/C13H8Cl2N2/c14-9-4-5-11(12(15)7-9)13-16-8-10-3-1-2-6-17(10)13/h1-8H
- Stored Murcko scaffold
- n1cc2ccccn2c1-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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.122 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.882
- 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 · 24808412