Molecule card · MolClass #49743
24784452
24784452: 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
- 24784452Mitochondrial Fusion · compound_name
- MolClass ID
- 49743
- InChIKey
- NBFSPZRPYODLOH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)NCc3nnc(n3(Cc2ccccc2))S
- Standard InChI
- InChI=1S/C17H17ClN4S/c1-12-7-8-14(9-15(12)18)19-10-16-20-21-17(23)22(16)11-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H,21,23)
- Stored Murcko scaffold
- n1nc(n(c1)Cc2ccccc2)CNc3ccccc3
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
- 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
- 81.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.863 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.665
- 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 · 24784452