Molecule card · MolClass #40269
24804157
24804157: 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
- 24804157Mitochondrial Fusion · compound_name
- MolClass ID
- 40269
- InChIKey
- RRKYQMSICRZRNO-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CSC(N1N2C(=O)c3cccc(c3(C2(=O)))[N+](=O)[O-])=S
- Standard InChI
- InChI=1S/C11H5N3O5S2/c15-7-4-21-11(20)12(7)13-9(16)5-2-1-3-6(14(18)19)8(5)10(13)17/h1-3H,4H2
- Stored Murcko scaffold
- S1[CH]N([CH]C1)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
- 5
- 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
- 158.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.384
- 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 · 24804157