Molecule card · MolClass #40876
7971535
7971535: 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
- 7971535Mitochondrial Fusion · compound_name
- MolClass ID
- 40876
- InChIKey
- HIEGHGQJGJSZMK-UHFFFAOYSA-N
- Canonical SMILES
- CCSc1nc2c3ccccc3(nc2(c(O)n1(C)))
- Standard InChI
- InChI=1S/C13H13N3OS/c1-3-18-13-15-10-8-6-4-5-7-9(8)14-11(10)12(17)16(13)2/h4-7,17H,3H2,1-2H3
- Stored Murcko scaffold
- n1c[nH]cc-2nc3ccccc3c12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.367
- 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 · 7971535