Molecule card · MolClass #45965
4262329
4262329: 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
- 4262329Mitochondrial Fusion · compound_name
- MolClass ID
- 45965
- InChIKey
- MCPPQLBEXJTWJC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cn1)Cl)c2cnn3cccnc23
- Standard InChI
- InChI=1S/C12H8ClN5O/c13-8-2-3-10(15-6-8)17-12(19)9-7-16-18-5-1-4-14-11(9)18/h1-7H,(H,15,17,19)
- Stored Murcko scaffold
- n1ccccc1N[CH]c2cnn3cccnc23
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
- 5
- 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
- 72.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.678 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.526
- 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 · 4262329