Molecule card · MolClass #45900
24796828
24796828: 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
- 24796828Mitochondrial Fusion · compound_name
- MolClass ID
- 45900
- InChIKey
- UDTRLIVLFCHUOX-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1(C))N(CCCN)Cc2ccco2
- Standard InChI
- InChI=1S/C16H28N2O/c1-13-6-7-15(11-14(13)2)18(9-4-8-17)12-16-5-3-10-19-16/h3,5,10,13-15H,4,6-9,11-12,17H2,1-2H3
- Stored Murcko scaffold
- o1cccc1CNC2CCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.896
- 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 · 24796828