Molecule card · MolClass #52320
863466
863466: 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
- 863466Mitochondrial Fusion · compound_name
- MolClass ID
- 52320
- InChIKey
- VNFUBVNOOAIKTF-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc4nc(COc1ccc(cc1)c2ccccc2)oc4(NCCCN3CCOCC3)
- Standard InChI
- InChI=1S/C24H26N4O3/c25-17-22-24(26-11-4-12-28-13-15-29-16-14-28)31-23(27-22)18-30-21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-16,18H2
- Stored Murcko scaffold
- n1cc(oc1COc2ccc(cc2)-c3ccccc3)NCCCN4CCOCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.489 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.423
- 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 · 863466