Molecule card · MolClass #38223
24784735
24784735: 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
- 24784735Mitochondrial Fusion · compound_name
- MolClass ID
- 38223
- InChIKey
- GHQRRKYPOBOPQB-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC2=NN(C(C)=O)C(C)(c1cccc(c1)[N+](=O)[O-])S2
- Standard InChI
- InChI=1S/C13H14N4O4S/c1-8(18)14-12-15-16(9(2)19)13(3,22-12)10-5-4-6-11(7-10)17(20)21/h4-7H,1-3H3,(H,14,15,18)
- Stored Murcko scaffold
- N=1[N]C(SC1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.731
- 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 · 24784735