Molecule card · MolClass #50014
22409044
22409044: 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
- 22409044Mitochondrial Fusion · compound_name
- MolClass ID
- 50014
- InChIKey
- AJXKDMVUTLCKPR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cc(cc(c1)Cl)Cl)C(c2ccccc2)N3CCCCC3
- Standard InChI
- InChI=1S/C19H20Cl2N2O/c20-15-11-16(21)13-17(12-15)22-19(24)18(14-7-3-1-4-8-14)23-9-5-2-6-10-23/h1,3-4,7-8,11-13,18H,2,5-6,9-10H2,(H,22,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C(c2ccccc2)N3CCCCC3
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.
No other molecules currently have this stored scaffold.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.281 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.484
- 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 · 22409044