Molecule card · MolClass #44715
24786298
24786298: 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
- 24786298Mitochondrial Fusion · compound_name
- MolClass ID
- 44715
- InChIKey
- JFDUVDSNDLGKDD-UHFFFAOYSA-N
- Canonical SMILES
- CCN3CCCC3(CNC(=O)CCc2nnc(CCC1CCCCC1)o2)
- Standard InChI
- InChI=1S/C20H34N4O2/c1-2-24-14-6-9-17(24)15-21-18(25)11-13-20-23-22-19(26-20)12-10-16-7-4-3-5-8-16/h16-17H,2-15H2,1H3,(H,21,25)
- Stored Murcko scaffold
- n1nc(oc1CC[CH]NCC2NCCC2)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.51 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.656
- 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 · 24786298