Molecule card · MolClass #43422
857163
857163: 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
- 857163Mitochondrial Fusion · compound_name
- MolClass ID
- 43422
- InChIKey
- KSNWZOPVUAAPHJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2cn3CCCCc3(n2)
- Standard InChI
- InChI=1S/C14H16N2/c1-11-5-7-12(8-6-11)13-10-16-9-3-2-4-14(16)15-13/h5-8,10H,2-4,9H2,1H3
- Stored Murcko scaffold
- n1c(cn2c1CCCC2)-c3ccccc3
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
- 1
- 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
- 17.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 212.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.703
- 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 · 857163