Molecule card · MolClass #49369
24825786
24825786: 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
- 24825786Mitochondrial Fusion · compound_name
- MolClass ID
- 49369
- InChIKey
- XHEHLRSRFVJOIA-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1Cl)NC(Nc2ccccc2N3CCOCC3)=S
- Standard InChI
- InChI=1S/C17H17ClFN3OS/c18-13-11-12(5-6-14(13)19)20-17(24)21-15-3-1-2-4-16(15)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H2,20,21,24)
- Stored Murcko scaffold
- O1CCN(c2ccccc2N[CH]Nc3ccccc3)CC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.854 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.969
- 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 · 24825786