Molecule card · MolClass #52396
858511
858511: 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
- 858511Mitochondrial Fusion · compound_name
- MolClass ID
- 52396
- InChIKey
- AVMOXRBLEWHGTH-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)N=C(CN2CCOCC2)n4c5ccccc5(nc34)
- Standard InChI
- InChI=1S/C19H18N4O/c1-2-6-15-14(5-1)19-21-16-7-3-4-8-17(16)23(19)18(20-15)13-22-9-11-24-12-10-22/h1-8H,9-13H2
- Stored Murcko scaffold
- n1c2ccccc2n3c1-c4ccccc4N=C3CN5CCOCC5
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.811
- 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 · 858511