Molecule card · MolClass #41284
4263841
4263841: 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
- 4263841Mitochondrial Fusion · compound_name
- MolClass ID
- 41284
- InChIKey
- CXVSDEXFJBHRKI-UHFFFAOYSA-N
- Canonical SMILES
- C=CCc2cc(ccc2(OCCON1C(=O)CCC1(=O)))OC
- Standard InChI
- InChI=1S/C16H19NO5/c1-3-4-12-11-13(20-2)5-6-14(12)21-9-10-22-17-15(18)7-8-16(17)19/h3,5-6,11H,1,4,7-10H2,2H3
- Stored Murcko scaffold
- O(c1ccccc1)CCON2[CH]CC[CH]2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.805
- 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 · 4263841