Molecule card · MolClass #50294
17517051
17517051: 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
- 17517051Mitochondrial Fusion · compound_name
- MolClass ID
- 50294
- InChIKey
- LKGCVUIDLOLTOM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(F))C(NC(=O)NC(C)c2ccccc2)C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C18H18Cl3FN2O/c1-11-8-9-14(10-15(11)22)16(18(19,20)21)24-17(25)23-12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3,(H2,23,24,25)
- Stored Murcko scaffold
- c1ccc(cc1)CN[CH]NCc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.706 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.622
- 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 · 17517051