Molecule card · MolClass #51186
17402560
17402560: 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
- 17402560Mitochondrial Fusion · compound_name
- MolClass ID
- 51186
- InChIKey
- CEGNLJHYGLJTJL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)c3ccccc3(NC2=S)
- Standard InChI
- InChI=1S/C17H14Cl2N2O2S/c1-9(2)23-15-8-14(11(18)7-12(15)19)21-16(22)10-5-3-4-6-13(10)20-17(21)24/h3-9H,1-2H3,(H,20,24)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]Nc3ccccc3[CH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.123
- 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 · 17402560