Molecule card · MolClass #36471
24809943
24809943: 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
- 24809943Mitochondrial Fusion · compound_name
- MolClass ID
- 36471
- InChIKey
- WFVNJFCMHPDSFZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2CCC3C4CCC1CC5(CC(=O)C1(C)C4(C(O)CC23(C)))(OCCO5)
- Standard InChI
- InChI=1S/C23H34O5/c1-13(24)16-6-7-17-15-5-4-14-10-23(27-8-9-28-23)12-19(26)22(14,3)20(15)18(25)11-21(16,17)2/h14-18,20,25H,4-12H2,1-3H3
- Stored Murcko scaffold
- O1CCOC12C[CH]C3C(CCC4C5CCCC5CCC34)C2
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.514 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.415
- 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 · 24809943