Molecule card · MolClass #49501
24796785
24796785: 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
- 24796785Mitochondrial Fusion · compound_name
- MolClass ID
- 49501
- InChIKey
- OKLAMPKMWQFJPV-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccccc1N2CCN(CC2)C(NCc3ccc(cc3)Cl)=S
- Standard InChI
- InChI=1S/C20H24ClN3OS/c1-2-25-19-6-4-3-5-18(19)23-11-13-24(14-12-23)20(26)22-15-16-7-9-17(21)10-8-16/h3-10H,2,11-15H2,1H3,(H,22,26)
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN([CH]NCc3ccccc3)CC2
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.
- 24834984#49329
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.944 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.409
- 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 · 24796785