Molecule card · MolClass #36868
24824191
24824191: 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
- 24824191Mitochondrial Fusion · compound_name
- MolClass ID
- 36868
- InChIKey
- KNNVUDNKSDXMJY-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CCCN3N=C(SCC(=O)Nc1nccs1)SC3(=N2)
- Standard InChI
- InChI=1S/C11H11N5O2S3/c17-7-2-1-4-16-10(14-7)21-11(15-16)20-6-8(18)13-9-12-3-5-19-9/h3,5H,1-2,4,6H2,(H,12,13,18)
- Stored Murcko scaffold
- n1ccsc1N[CH]CSC2=NN3C(=N[CH]CCC3)S2
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
- 7
- 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
- 165.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.436 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.324
- 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 · 24824191