Molecule card · MolClass #38749
24819460
24819460: 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
- 24819460Mitochondrial Fusion · compound_name
- MolClass ID
- 38749
- InChIKey
- AWOYUYYWUGDAAS-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)N2C=Nc1ccsc1C2(=O)
- Standard InChI
- InChI=1S/C8H9N3OS/c1-10(2)11-5-9-6-3-4-13-7(6)8(11)12/h3-5H,1-2H3
- Stored Murcko scaffold
- n1cnc2ccsc2c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 195.243 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.415
- 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 · 24819460