Molecule card · MolClass #43851
24794064
24794064: 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
- 24794064Mitochondrial Fusion · compound_name
- MolClass ID
- 43851
- InChIKey
- WODPEQCVARYVPA-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cnc(N1C(=O)c2ccc(cc2(C1(=O)))[N+](=O)[O-])s3
- Standard InChI
- InChI=1S/C12H7N3O4S/c1-6-5-13-12(20-6)14-10(16)8-3-2-7(15(18)19)4-9(8)11(14)17/h2-5H,1H3
- Stored Murcko scaffold
- n1ccsc1-n2cc3ccccc3c2
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
- 4
- 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
- 121.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.015
- 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 · 24794064