Molecule card · MolClass #39339
24779590
24779590: 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
- 24779590Mitochondrial Fusion · compound_name
- MolClass ID
- 39339
- InChIKey
- SEOPMUTVAWRONM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)CSC2=NN=C(C)C(=O)N2(N)
- Standard InChI
- InChI=1S/C10H12N6O3S/c1-5-3-7(15-19-5)12-8(17)4-20-10-14-13-6(2)9(18)16(10)11/h3H,4,11H2,1-2H3,(H,12,15,17)
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]Nc2nocc2
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.
- 24779592#38341
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 151.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.131
- 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 · 24779590