Molecule card · MolClass #45602
22408898
22408898: 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
- 22408898Mitochondrial Fusion · compound_name
- MolClass ID
- 45602
- InChIKey
- ZDLQTOHXAQWQKW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCSc1nnc(SCC(=O)NCC(F)(F)F)s1
- Standard InChI
- InChI=1S/C9H10F3N3O3S3/c10-9(11,12)4-13-5(16)3-20-8-15-14-7(21-8)19-2-1-6(17)18/h1-4H2,(H,13,16)(H,17,18)
- Stored Murcko scaffold
- n1ncsc1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 171.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.23
- 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 · 22408898