Molecule card · MolClass #38339
843032
843032: 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
- 843032Mitochondrial Fusion · compound_name
- MolClass ID
- 38339
- InChIKey
- JXNCKUNFELPBJQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c3nc2ccccc2c4nncn34
- Standard InChI
- InChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-17-13-9-5-4-8-12(13)15-18-16-10-19(14)15/h1-10H
- Stored Murcko scaffold
- n1nc2c3ccccc3nc(-c4ccccc4)n2c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.503
- 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 · 843032