Molecule card · MolClass #44735
22405547
22405547: 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
- 22405547Mitochondrial Fusion · compound_name
- MolClass ID
- 44735
- InChIKey
- HZBVELBOHCAIDT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccccc2(NC(=O)Cc1nc(CCl)cs1)
- Standard InChI
- InChI=1S/C13H13ClN2OS/c1-9-4-2-3-5-11(9)16-12(17)6-13-15-10(7-14)8-18-13/h2-5,8H,6-7H2,1H3,(H,16,17)
- Stored Murcko scaffold
- n1ccsc1C[CH]Nc2ccccc2
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.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.775 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.023
- 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 · 22405547