Molecule card · MolClass #50538
17509442
17509442: 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
- 17509442Mitochondrial Fusion · compound_name
- MolClass ID
- 50538
- InChIKey
- CEFLYWLOGMIBCY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc2cn(Cc1cccc(c1)Cl)c3ccccc23)N4CCCCCC4
- Standard InChI
- InChI=1S/C23H25ClN2O/c24-20-9-7-8-18(14-20)16-26-17-19(21-10-3-4-11-22(21)26)15-23(27)25-12-5-1-2-6-13-25/h3-4,7-11,14,17H,1-2,5-6,12-13,15-16H2
- Stored Murcko scaffold
- c1ccc(cc1)Cn2cc(c3ccccc32)C[CH]N4CCCCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.911 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.347
- 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 · 17509442