Molecule card · MolClass #36134
14738600
14738600: 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
- 14738600Mitochondrial Fusion · compound_name
- MolClass ID
- 36134
- InChIKey
- WIKPOVHXIIIGLU-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)c2nnn(c1nonc1(N))c2c3cccs3
- Standard InChI
- InChI=1S/C9H8N8O2S/c10-7-8(15-19-14-7)17-6(4-2-1-3-20-4)5(13-16-17)9(18)12-11/h1-3H,11H2,(H2,10,14)(H,12,18)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1)-c3sccc3
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.
- 4241672#36400
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 179.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.224
- 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 · 14738600