Molecule card · MolClass #44082
3714682
3714682: 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
- 3714682Mitochondrial Fusion · compound_name
- MolClass ID
- 44082
- InChIKey
- YUSRZOLPOUXZON-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(C1CCC3(C)(C(C1)NC=2CCCN=2))
- Standard InChI
- InChI=1S/C14H24N2/c1-13(2)10-6-7-14(13,3)11(9-10)16-12-5-4-8-15-12/h10-11H,4-9H2,1-3H3,(H,15,16)
- Stored Murcko scaffold
- N1=C(NC2CC3CCC2C3)CCC1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 24.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.391
- 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 · 3714682