Molecule card · MolClass #37869
24807144
24807144: 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
- 24807144Mitochondrial Fusion · compound_name
- MolClass ID
- 37869
- InChIKey
- JCMIBBCJGQKXJN-UHFFFAOYSA-N
- Canonical SMILES
- CCn2c(C)[n+](CCOC(C)=O)c1cc(c(cc12)Cl)Cl
- Standard InChI
- InChI=1S/C14H17Cl2N2O2/c1-4-17-9(2)18(5-6-20-10(3)19)14-8-12(16)11(15)7-13(14)17/h7-8H,4-6H2,1-3H3/q+1
- Stored Murcko scaffold
- c1ccc2[nH+]c[nH]c2c1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.203 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.513
- 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 · 24807144