Molecule card · MolClass #41679
24797724
24797724: 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
- 24797724Mitochondrial Fusion · compound_name
- MolClass ID
- 41679
- InChIKey
- NIUJBNWULOPLNF-UHFFFAOYSA-N
- Canonical SMILES
- CCC(O)CNC(=O)CCc1nnc(o1)C2(CCC2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H24ClN3O3/c1-2-15(24)12-21-16(25)8-9-17-22-23-18(26-17)19(10-3-11-19)13-4-6-14(20)7-5-13/h4-7,15,24H,2-3,8-12H2,1H3,(H,21,25)
- Stored Murcko scaffold
- n1nc(oc1)C2(c3ccccc3)CCC2
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.
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.866 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.984
- 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 · 24797724