Molecule card · MolClass #39307
24785314
24785314: 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
- 24785314Mitochondrial Fusion · compound_name
- MolClass ID
- 39307
- InChIKey
- OHSSFPHALMYHDC-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3ccc(Cc1noc2CC(C)(C)CC(=O)c12)cc3(OCC)
- Standard InChI
- InChI=1S/C20H25NO4/c1-5-23-16-8-7-13(10-17(16)24-6-2)9-14-19-15(22)11-20(3,4)12-18(19)25-21-14/h7-8,10H,5-6,9,11-12H2,1-4H3
- Stored Murcko scaffold
- n1oc2c([CH]CCC2)c1Cc3ccccc3
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
- 1
- 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
- 61.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.128
- 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 · 24785314