Molecule card · MolClass #47339
24800163
24800163: 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
- 24800163Mitochondrial Fusion · compound_name
- MolClass ID
- 47339
- InChIKey
- LTBKQXXYJUVLHQ-UHFFFAOYSA-N
- Canonical SMILES
- CCC(CC)N2CCN(CCc1ccccc1)C(CCO)C2
- Standard InChI
- InChI=1S/C19H32N2O/c1-3-18(4-2)21-14-13-20(19(16-21)11-15-22)12-10-17-8-6-5-7-9-17/h5-9,18-19,22H,3-4,10-16H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CCN2CCNCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.859
- 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 · 24800163