Molecule card · MolClass #36925
7973773
7973773: 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
- 7973773Mitochondrial Fusion · compound_name
- MolClass ID
- 36925
- InChIKey
- YMZUKONLXQADDP-UHFFFAOYSA-N
- Canonical SMILES
- C2Cc1c4cc(ccc4([nH]c1c3n[nH]cc23))Cl
- Standard InChI
- InChI=1S/C13H8ClN3/c14-8-2-4-11-10(5-8)9-3-1-7-6-15-17-12(7)13(9)16-11/h2,4-6H,1,3H2
- Stored Murcko scaffold
- n1[nH]cc2c1-c3[nH]c4ccccc4c3CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.692 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.901
- 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 · 7973773