Molecule card · MolClass #51079
17410116
17410116: 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
- 17410116Mitochondrial Fusion · compound_name
- MolClass ID
- 51079
- InChIKey
- POTQMUHEXULPMH-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2nc(c(cc2(c1))c3ccc(cc3)Cl)N4CCCC4
- Standard InChI
- InChI=1S/C19H17ClN2/c20-16-9-7-14(8-10-16)17-13-15-5-1-2-6-18(15)21-19(17)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2
- Stored Murcko scaffold
- n1c2ccccc2cc(-c3ccccc3)c1N4CCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 16.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.805 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.25
- 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 · 17410116