Molecule card · MolClass #44700
24783984
24783984: 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
- 24783984Mitochondrial Fusion · compound_name
- MolClass ID
- 44700
- InChIKey
- NFRYQRVIKCESCQ-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)N2CCn1c3ccccc3(nc12)
- Standard InChI
- InChI=1S/C10H11N3O2S/c1-16(14,15)13-7-6-12-9-5-3-2-4-8(9)11-10(12)13/h2-5H,6-7H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2n3c1NCC3
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.
- 1662178#16001
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.826
- 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 · 24783984