Molecule card · MolClass #40961
24822219
24822219: 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
- 24822219Mitochondrial Fusion · compound_name
- MolClass ID
- 40961
- InChIKey
- KHROVKCHSKLFGG-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOC3CC(c2ccc(OCc1ccc(cc1)OC)c(c2)OC)N(C)O3
- Standard InChI
- InChI=1S/C23H31NO5/c1-5-6-13-27-23-15-20(24(2)29-23)18-9-12-21(22(14-18)26-4)28-16-17-7-10-19(25-3)11-8-17/h7-12,14,20,23H,5-6,13,15-16H2,1-4H3
- Stored Murcko scaffold
- O1NC(c2ccc(OCc3ccccc3)cc2)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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.252
- 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 · 24822219