Molecule card · MolClass #44144
7972324
7972324: 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
- 7972324Mitochondrial Fusion · compound_name
- MolClass ID
- 44144
- InChIKey
- IISAOBKXRWBTNJ-UHFFFAOYSA-N
- Canonical SMILES
- CC34(CN1CCN(CC(C1)C3(O)(CN2CCOCC2))C4)
- Standard InChI
- InChI=1S/C15H27N3O2/c1-14-10-17-2-3-18(11-14)9-13(8-17)15(14,19)12-16-4-6-20-7-5-16/h13,19H,2-12H2,1H3
- Stored Murcko scaffold
- O1CCN(CC1)CC2C3CN4CCN(C3)CC2C4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.08
- 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 · 7972324