Molecule card · MolClass #47190
7971479
7971479: 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
- 7971479Mitochondrial Fusion · compound_name
- MolClass ID
- 47190
- InChIKey
- XVIUWCWHGAVGNA-UHFFFAOYSA-N
- Canonical SMILES
- CC1=C(C(=O)N(C)C(=O)N1(C))S(=O)(=O)N2CCc3ccccc3(C2)
- Standard InChI
- InChI=1S/C16H19N3O4S/c1-11-14(15(20)18(3)16(21)17(11)2)24(22,23)19-9-8-12-6-4-5-7-13(12)10-19/h4-7H,8-10H2,1-3H3
- 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.
- 7971342#40397
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
- 349.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.244
- 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 · 7971479