Molecule card · MolClass #43515
17406651
17406651: 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
- 17406651Mitochondrial Fusion · compound_name
- MolClass ID
- 43515
- InChIKey
- GUYBVLYAQQGDQY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NC(N2CCCC2)C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C14H17Cl3N2O/c1-10-4-6-11(7-5-10)12(20)18-13(14(15,16)17)19-8-2-3-9-19/h4-7,13H,2-3,8-9H2,1H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCN2CCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.657 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.233
- 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 · 17406651