Molecule card · MolClass #42176
865635
865635: 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
- 865635Mitochondrial Fusion · compound_name
- MolClass ID
- 42176
- InChIKey
- JRWLTKVLNIYLIT-UHFFFAOYSA-N
- Canonical SMILES
- Nc1c(cc(c2nonc12)Cl)N3CCOCC3
- Standard InChI
- InChI=1S/C10H11ClN4O2/c11-6-5-7(15-1-3-16-4-2-15)8(12)10-9(6)13-17-14-10/h5H,1-4,12H2
- Stored Murcko scaffold
- n1onc2cc(ccc12)N3CCOCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.673 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.406
- 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 · 865635