Molecule card · MolClass #45351
14741326
14741326: 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
- 14741326Mitochondrial Fusion · compound_name
- MolClass ID
- 45351
- InChIKey
- KHWPSDKYGPRXRX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)CC2CC(=O)N(C2(=O))c3ccc(cn3)Cl
- Standard InChI
- InChI=1S/C18H17ClN2O2/c1-11-5-12(2)7-13(6-11)8-14-9-17(22)21(18(14)23)16-4-3-15(19)10-20-16/h3-7,10,14H,8-9H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1N2[CH]CC([CH]2)Cc3ccccc3
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.
- 26663089#28755
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.793 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.448
- 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 · 14741326