Molecule card · MolClass #45758
7965569
7965569: 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
- 7965569Mitochondrial Fusion · compound_name
- MolClass ID
- 45758
- InChIKey
- FJAVUUDZKAUOOH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n2nc(nc2(n1))S(=O)(=O)NC3CCCCC3
- Standard InChI
- InChI=1S/C13H19N5O2S/c1-9-8-10(2)18-12(14-9)15-13(16-18)21(19,20)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3
- Stored Murcko scaffold
- n1cccn2nc(nc12)SNC3CCCCC3
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
- 6
- 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
- 97.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.313
- 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 · 7965569