Molecule card · MolClass #51366
14745740
14745740: 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
- 14745740Mitochondrial Fusion · compound_name
- MolClass ID
- 51366
- InChIKey
- QEAFXEGZLCSZLA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(C)oc1c5ccccc5(c(O)c(c12)C(c3cccnc3)N4CCOCC4)
- Standard InChI
- InChI=1S/C26H26N2O5/c1-3-32-26(30)20-16(2)33-25-19-9-5-4-8-18(19)24(29)22(21(20)25)23(17-7-6-10-27-15-17)28-11-13-31-14-12-28/h4-10,15,23,29H,3,11-14H2,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)C(c2cc3ccccc3c4occc42)N5CCOCC5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 446.496 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.112
- 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 · 14745740