Molecule card · MolClass #40200
7965919
7965919: 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
- 7965919Mitochondrial Fusion · compound_name
- MolClass ID
- 40200
- InChIKey
- ZKPTXOWYNJOFBP-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCNS(=O)(=O)c1nc2nc(C)cc(C)n2(n1)
- Standard InChI
- InChI=1S/C13H21N5O2S/c1-4-5-6-7-8-14-21(19,20)13-16-12-15-10(2)9-11(3)18(12)17-13/h9,14H,4-8H2,1-3H3
- Stored Murcko scaffold
- n1cnn2cccnc12
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.
View all molecules with this 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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.973
- 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 · 7965919