Molecule card · MolClass #41467
24780853
24780853: 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
- 24780853Mitochondrial Fusion · compound_name
- MolClass ID
- 41467
- InChIKey
- RGWVQOISFIWSGR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCC2OCCc1ccccc12)C3COc4ccccc4(O3)
- Standard InChI
- InChI=1S/C19H19NO4/c21-19(18-12-23-15-7-3-4-8-16(15)24-18)20-11-17-14-6-2-1-5-13(14)9-10-22-17/h1-8,17-18H,9-12H2,(H,20,21)
- Stored Murcko scaffold
- O1c2ccccc2OC([CH]NCC3OCCc4ccccc43)C1
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.118
- 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 · 24780853