Molecule card · MolClass #35933
17512395
17512395: 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
- 17512395Mitochondrial Fusion · compound_name
- MolClass ID
- 35933
- InChIKey
- DTCZDYSZECGESZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc[n+](cc1(C))c3nc4ccccc4(nc3([N-]S(=O)(=O)c2cccs2))
- Standard InChI
- InChI=1S/C19H16N4O2S2/c1-13-9-10-23(12-14(13)2)19-18(20-15-6-3-4-7-16(15)21-19)22-27(24,25)17-8-5-11-26-17/h3-12H,1-2H3
- Stored Murcko scaffold
- n1c([N-]Sc2sccc2)c(nc3ccccc13)-[n+]4ccccc4
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.
- 17513873#30995
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.489 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.134
- 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 · 17512395