Molecule card · MolClass #35705
17388388
17388388: 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
- 17388388Mitochondrial Fusion · compound_name
- MolClass ID
- 35705
- InChIKey
- VMAZUSNGCHGDOE-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cnc(c1Sc2ncccc2(N))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C9H9N5O2S/c1-13-5-12-7(14(15)16)9(13)17-8-6(10)3-2-4-11-8/h2-5H,10H2,1H3
- Stored Murcko scaffold
- n1c[nH]c(Sc2ncccc2)c1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.866
- 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 · 17388388