Molecule card · MolClass #47843
4258547
4258547: 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
- 4258547Mitochondrial Fusion · compound_name
- MolClass ID
- 47843
- InChIKey
- ZQNPVHILBAMIFV-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CCC(=O)N3(OCCOc1ccc2CCCc2(c1))
- Standard InChI
- InChI=1S/C15H17NO4/c17-14-6-7-15(18)16(14)20-9-8-19-13-5-4-11-2-1-3-12(11)10-13/h4-5,10H,1-3,6-9H2
- Stored Murcko scaffold
- O(c1ccc2c(c1)CCC2)CCON3[CH]CC[CH]3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.701
- 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 · 4258547