Molecule card · MolClass #43288
851005
851005: 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
- 851005Mitochondrial Fusion · compound_name
- MolClass ID
- 43288
- InChIKey
- YENSLLPLIAMTRS-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c4cc2c(ncnc2n3cccc3)o4
- Standard InChI
- InChI=1S/C16H11N3O/c1-2-6-12(7-3-1)14-10-13-15(19-8-4-5-9-19)17-11-18-16(13)20-14/h1-11H
- Stored Murcko scaffold
- n1cnc(c2cc(oc12)-c3ccccc3)-n4cccc4
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.
- 14726723#30147
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.848
- 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 · 851005