Molecule card · MolClass #37264
842190
842190: 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
- 842190Mitochondrial Fusion · compound_name
- MolClass ID
- 37264
- InChIKey
- AHYOOMFGPGRZLH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2nnc(n2(c(N)n1))SCc3ccccc3
- Standard InChI
- InChI=1S/C13H13N5S/c1-9-7-11-16-17-13(18(11)12(14)15-9)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15)
- Stored Murcko scaffold
- n1nc2ccncn2c1SCc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.157
- 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 · 842190