Molecule card · MolClass #38595
846218
846218: 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
- 846218Mitochondrial Fusion · compound_name
- MolClass ID
- 38595
- InChIKey
- NARZOZMHJMTCGC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c2ccc3C(=O)c1ccccc1c4ncnc2c34
- Standard InChI
- InChI=1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)
- Stored Murcko scaffold
- n1cnc2c3ccccc3cc4cccc1c42
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.
- 1920313#14905
- Oc1cc(c2ncnc3c4ccccc4c(=O)c1c32)S(O)(=O)=O#151004
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.26
- 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 · 846218