Molecule card · MolClass #45881
22412509
22412509: 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
- 22412509Mitochondrial Fusion · compound_name
- MolClass ID
- 45881
- InChIKey
- OKFGPCBKOCVTRJ-UHFFFAOYSA-N
- Canonical SMILES
- CN2CC(c1ccccc1)C(=N2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C16H15ClN2/c1-19-11-15(12-5-3-2-4-6-12)16(18-19)13-7-9-14(17)10-8-13/h2-10,15H,11H2,1H3
- Stored Murcko scaffold
- N=1NCC(c2ccccc2)C1c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 15.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.757 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.322
- 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 · 22412509