Molecule card · MolClass #51674
14732674
14732674: 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
- 14732674Mitochondrial Fusion · compound_name
- MolClass ID
- 51674
- InChIKey
- LXCQXPGYOJWAAN-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccn1)c2ccco2
- Standard InChI
- InChI=1S/C10H8N2O2/c13-10(8-4-3-7-14-8)12-9-5-1-2-6-11-9/h1-7H,(H,11,12,13)
- Stored Murcko scaffold
- n1ccccc1N[CH]c2occc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 188.183 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.169
- 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 · 14732674