Molecule card · MolClass #48423
17388255
17388255: 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
- 17388255Mitochondrial Fusion · compound_name
- MolClass ID
- 48423
- InChIKey
- KJUALWFONDSRNL-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(Nc1ccccc1Cl)n3nnnc3(n2)
- Standard InChI
- InChI=1S/C11H9ClN6/c1-7-6-10(18-11(13-7)15-16-17-18)14-9-5-3-2-4-8(9)12/h2-6,14H,1H3
- Stored Murcko scaffold
- n1nc2nccc(Nc3ccccc3)n2n1
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.683 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.388
- 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 · 17388255