Molecule card · MolClass #36456
24822335
24822335: 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
- 24822335Mitochondrial Fusion · compound_name
- MolClass ID
- 36456
- InChIKey
- SBEBKXDIFSSPMC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cnc(c1Cl)Cl)c2ccccc2
- Standard InChI
- InChI=1S/C11H8Cl2N2O/c12-10-11(13)15(7-14-10)6-9(16)8-4-2-1-3-5-8/h1-5,7H,6H2
- Stored Murcko scaffold
- n1ccn(c1)C[CH]c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.1 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.205
- 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 · 24822335