Molecule card · MolClass #52087
4259144
4259144: 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
- 4259144Mitochondrial Fusion · compound_name
- MolClass ID
- 52087
- InChIKey
- ICNFHQZEUSSPJI-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(CN1CCOCC1)c(O)c(c2)C3(C)(CCCCC3)
- Standard InChI
- InChI=1S/C19H29NO2/c1-15-12-16(14-20-8-10-22-11-9-20)18(21)17(13-15)19(2)6-4-3-5-7-19/h12-13,21H,3-11,14H2,1-2H3
- Stored Murcko scaffold
- O1CCN(Cc2cccc(c2)C3CCCCC3)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.
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.377
- 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 · 4259144