Molecule card · MolClass #44645
24785843
24785843: 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
- 24785843Mitochondrial Fusion · compound_name
- MolClass ID
- 44645
- InChIKey
- KTIAZEWHQOUCNY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc1ccccc1)NCC3OCCc2ccccc23
- Standard InChI
- InChI=1S/C19H21NO2/c21-19(11-10-15-6-2-1-3-7-15)20-14-18-17-9-5-4-8-16(17)12-13-22-18/h1-9,18H,10-14H2,(H,20,21)
- Stored Murcko scaffold
- O1CCc2ccccc2C1CN[CH]CCc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.877
- 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 · 24785843