Molecule card · MolClass #49746
24784240
24784240: 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
- 24784240Mitochondrial Fusion · compound_name
- MolClass ID
- 49746
- InChIKey
- VCCRFAZUYUPLNS-WEVVVXLNSA-N
- Canonical SMILES
- COc3ccccc3(C=CCN2CCCC(CO)(Cc1cccc(c1)Cl)C2)
- Standard InChI
- InChI=1S/C23H28ClNO2/c1-27-22-11-3-2-8-20(22)9-5-13-25-14-6-12-23(17-25,18-26)16-19-7-4-10-21(24)15-19/h2-5,7-11,15,26H,6,12-14,16-18H2,1H3/b9-5+
- Stored Murcko scaffold
- c1ccc(cc1)C=CCN2CCCC(Cc3ccccc3)C2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.928 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.781
- 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 · 24784240