Molecule card · MolClass #36038
17406755
17406755: 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
- 17406755Mitochondrial Fusion · compound_name
- MolClass ID
- 36038
- InChIKey
- WDWRJTSRMSGBGP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)Sc2c(ncn2(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H10N4O2S/c1-7-4-3-5-8(12-7)17-10-9(14(15)16)11-6-13(10)2/h3-6H,1-2H3
- 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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.998
- 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 · 17406755