Molecule card · MolClass #38392
24798530
24798530: 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
- 24798530Mitochondrial Fusion · compound_name
- MolClass ID
- 38392
- InChIKey
- KLHFLLIKLBFKGN-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCCC1))Cc3c(F)cccc3Cl
- Standard InChI
- InChI=1S/C19H28ClFN2O/c20-18-7-4-8-19(21)17(18)14-22-10-11-23(16(13-22)9-12-24)15-5-2-1-3-6-15/h4,7-8,15-16,24H,1-3,5-6,9-14H2
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCN(CC2)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.
- 24799687#28334
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.89 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.713
- 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 · 24798530