Molecule card · MolClass #42453
17403104
17403104: 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
- 17403104Mitochondrial Fusion · compound_name
- MolClass ID
- 42453
- InChIKey
- SZJSFFYIQOWQGH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Oc1ccccc1Cl)c2ccc(nc2)n3cncn3
- Standard InChI
- InChI=1S/C14H9ClN4O2/c15-11-3-1-2-4-12(11)21-14(20)10-5-6-13(17-7-10)19-9-16-8-18-19/h1-9H
- Stored Murcko scaffold
- n1cnn(c1)-c2ncc([CH]Oc3ccccc3)cc2
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.
- 24820092#47160
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.7 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.906
- 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 · 17403104