Molecule card · MolClass #48299
856326
856326: 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
- 856326Mitochondrial Fusion · compound_name
- MolClass ID
- 48299
- InChIKey
- YZAOSZMLNQMDJD-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nnc(Oc1ccccc1)c3ccccc23
- Standard InChI
- InChI=1S/C15H12N2O/c1-11-13-9-5-6-10-14(13)15(17-16-11)18-12-7-3-2-4-8-12/h2-10H,1H3
- Stored Murcko scaffold
- n1nc(Oc2ccccc2)c3ccccc3c1
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.
- 49646962#30613
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
- 35.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.73
- 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 · 856326