Molecule card · MolClass #40397
7971342
7971342: 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
- 7971342Mitochondrial Fusion · compound_name
- MolClass ID
- 40397
- InChIKey
- GIGFATPNBXSPGK-UHFFFAOYSA-N
- Canonical SMILES
- CN1C=C(C(=O)N(C)C1(=O))S(=O)(=O)N2CCc3ccccc3(C2)
- Standard InChI
- InChI=1S/C15H17N3O4S/c1-16-10-13(14(19)17(2)15(16)20)23(21,22)18-8-7-11-5-3-4-6-12(11)9-18/h3-6,10H,7-9H2,1-2H3
- Stored Murcko scaffold
- n1cncc(SN2Cc3ccccc3CC2)c1
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.
- 7971479#47190
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.008
- 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 · 7971342