Molecule card · MolClass #49590
24793737
24793737: 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
- 24793737Mitochondrial Fusion · compound_name
- MolClass ID
- 49590
- InChIKey
- MKYIEDWSOMRMCG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(cc1)COc2ccc(cc2)Cl)N3CCCCC3
- Standard InChI
- InChI=1S/C19H20ClNO2/c20-17-8-10-18(11-9-17)23-14-15-4-6-16(7-5-15)19(22)21-12-2-1-3-13-21/h4-11H,1-3,12-14H2
- Stored Murcko scaffold
- O(c1ccccc1)Cc2ccc(cc2)[CH]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
- 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
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.821 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.68
- 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 · 24793737