Molecule card · MolClass #39868
24786613
24786613: 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
- 24786613Mitochondrial Fusion · compound_name
- MolClass ID
- 39868
- InChIKey
- SLIIAUTXRQDXIK-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N2c1ccccc1C3(C)(C(C2(C)(C))C3(Cl)Cl)
- Standard InChI
- InChI=1S/C15H17Cl2NO/c1-9(19)18-11-8-6-5-7-10(11)14(4)12(13(18,2)3)15(14,16)17/h5-8,12H,1-4H3
- Stored Murcko scaffold
- [N]1c2ccccc2C3CC3C1
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.
- 26659648#28518
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.208 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.389
- 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 · 24786613