Molecule card · MolClass #49216
24817845
24817845: 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
- 24817845Mitochondrial Fusion · compound_name
- MolClass ID
- 49216
- InChIKey
- AYBYPRNGUZVMQV-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)CC(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H22Cl2N2O/c1-22-10-12-23(13-11-22)14-19(24,15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,24H,10-14H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C(c2ccccc2)CN3CCNCC3
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.
- 24800817#43743
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.617
- 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 · 24817845