Molecule card · MolClass #47825
24826427
24826427: 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
- 24826427Mitochondrial Fusion · compound_name
- MolClass ID
- 47825
- InChIKey
- ZANYFDPOMLMAHF-GIJQJNRQSA-N
- Canonical SMILES
- Cc1cc(C=NCCO)c(C)n1c2cc(ccc2Cl)Cl
- Standard InChI
- InChI=1S/C15H16Cl2N2O/c1-10-7-12(9-18-5-6-20)11(2)19(10)15-8-13(16)3-4-14(15)17/h3-4,7-9,20H,5-6H2,1-2H3/b18-9+
- Stored Murcko scaffold
- c1ccc(cc1)-n2cccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.207 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.518
- 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 · 24826427