Molecule card · MolClass #48660
24799279
24799279: 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
- 24799279Mitochondrial Fusion · compound_name
- MolClass ID
- 48660
- InChIKey
- RCCWZRKAIWXBEP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(CO)CNC(=O)CCc2nnc(CCCc1ccccc1)o2
- Standard InChI
- InChI=1S/C19H27N3O3/c1-19(2,14-23)13-20-16(24)11-12-18-22-21-17(25-18)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,23H,6,9-14H2,1-2H3,(H,20,24)
- Stored Murcko scaffold
- n1nc(oc1)CCCc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.179
- 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 · 24799279