Molecule card · MolClass #41005
24828211
24828211: 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
- 24828211Mitochondrial Fusion · compound_name
- MolClass ID
- 41005
- InChIKey
- KPOJURCAAOIEHP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C=2C(C)=Nc3ccccc3(NC=2(NC(=O)Cc1ccc(c(c1)Cl)Cl))
- Standard InChI
- InChI=1S/C21H19Cl2N3O3/c1-3-29-21(28)19-12(2)24-16-6-4-5-7-17(16)25-20(19)26-18(27)11-13-8-9-14(22)15(23)10-13/h4-10,25H,3,11H2,1-2H3,(H,26,27)
- Stored Murcko scaffold
- N1=CC=C(N[CH]Cc2ccccc2)Nc3ccccc13
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
- 6
- 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
- 79.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.853
- 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 · 24828211