Molecule card · MolClass #38457
17504919
17504919: 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
- 17504919Mitochondrial Fusion · compound_name
- MolClass ID
- 38457
- InChIKey
- FNQPYSGPNBPVSM-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC(c1cc(c2cccnc2(c1(O)))[N+](=O)[O-])c3cccs3
- Standard InChI
- InChI=1S/C16H13N3O4S/c1-9(20)18-14(13-5-3-7-24-13)11-8-12(19(22)23)10-4-2-6-17-15(10)16(11)21/h2-8,14,21H,1H3,(H,18,20)
- Stored Murcko scaffold
- n1cccc2ccc(cc12)Cc3sccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.075
- 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 · 17504919