Molecule card · MolClass #43302
17401875
17401875: 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
- 17401875Mitochondrial Fusion · compound_name
- MolClass ID
- 43302
- InChIKey
- DBUQWANJMOJQOT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNc1ccccn1)C(=O)NNS(=O)(=O)c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C13H12ClN5O4S/c14-9-4-6-10(7-5-9)24(22,23)19-18-13(21)12(20)17-16-11-3-1-2-8-15-11/h1-8,19H,(H,15,16)(H,17,20)(H,18,21)
- Stored Murcko scaffold
- n1ccccc1NN[CH][CH]NNSc2ccccc2
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.785 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.784
- 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 · 17401875