Molecule card · MolClass #39568
24829516
24829516: 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
- 24829516Mitochondrial Fusion · compound_name
- MolClass ID
- 39568
- InChIKey
- KGLVKZKEMQNUEJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c3cnc2CCCCCn23
- Standard InChI
- InChI=1S/C15H18N2/c1-12-6-8-13(9-7-12)14-11-16-15-5-3-2-4-10-17(14)15/h6-9,11H,2-5,10H2,1H3
- Stored Murcko scaffold
- n1cc(-c2ccccc2)n3c1CCCCC3
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
- 17.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.362
- 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 · 24829516