Molecule card · MolClass #44122
24782098
24782098: 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
- 24782098Mitochondrial Fusion · compound_name
- MolClass ID
- 44122
- InChIKey
- HPCKKTPGBIZSQL-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N2N=C(OC12(CCCC1))c3ccccc3
- Standard InChI
- InChI=1S/C14H16N2O2/c1-11(17)16-14(9-5-6-10-14)18-13(15-16)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
- Stored Murcko scaffold
- N=1[N]C2(OC1c3ccccc3)CCCC2
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.
- 24780675#46000
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.591
- 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 · 24782098