Molecule card · MolClass #38086
24799484
24799484: 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
- 24799484Mitochondrial Fusion · compound_name
- MolClass ID
- 38086
- InChIKey
- KKPANKSVQSMIKU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(ccc1C(=O)C2CCCN(C2)C(=O)CCN3CCCO3)Cl
- Standard InChI
- InChI=1S/C19H25ClN2O3/c1-14-12-16(20)5-6-17(14)19(24)15-4-2-8-21(13-15)18(23)7-10-22-9-3-11-25-22/h5-6,12,15H,2-4,7-11,13H2,1H3
- Stored Murcko scaffold
- O1N(CC[CH]N2CCCC([CH]c3ccccc3)C2)CCC1
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.
- 24800678#32458
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.867 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.344
- 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 · 24799484