Molecule card · MolClass #43067
24785441
24785441: 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
- 24785441Mitochondrial Fusion · compound_name
- MolClass ID
- 43067
- InChIKey
- ZJKPNZNQEODSDW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCN1CCCO1)N2CCCC(C2)C(=O)c4cccc3ccccc34
- Standard InChI
- InChI=1S/C22H26N2O3/c25-21(11-14-24-13-5-15-27-24)23-12-4-8-18(16-23)22(26)20-10-3-7-17-6-1-2-9-19(17)20/h1-3,6-7,9-10,18H,4-5,8,11-16H2
- Stored Murcko scaffold
- O1N(CC[CH]N2CCCC([CH]c3cccc4ccccc43)C2)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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.551
- 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 · 24785441