Molecule card · MolClass #46789
24804131
24804131: 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
- 24804131Mitochondrial Fusion · compound_name
- MolClass ID
- 46789
- InChIKey
- KAICLKLVRUKYRD-UHFFFAOYSA-N
- Canonical SMILES
- C1=CCC(CC1)CN2CCNCC2
- Standard InChI
- InChI=1S/C11H20N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-2,11-12H,3-10H2
- Stored Murcko scaffold
- C1=CCC(CN2CCNCC2)CC1
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.
- 14740231#39863
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
- 15.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 180.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.396
- 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 · 24804131