Molecule card · MolClass #41835
17410165
17410165: 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
- 17410165Mitochondrial Fusion · compound_name
- MolClass ID
- 41835
- InChIKey
- DCVHYNSHLQSRSO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNS(=O)(=O)c1ccc(F)cc1(F))C4Cc3c(ccc2ccccc23)O4
- Standard InChI
- InChI=1S/C19H14F2N2O4S/c20-12-6-8-18(15(21)9-12)28(25,26)23-22-19(24)17-10-14-13-4-2-1-3-11(13)5-7-16(14)27-17/h1-9,17,23H,10H2,(H,22,24)
- Stored Murcko scaffold
- O1c2ccc3ccccc3c2CC1[CH]NNSc4ccccc4
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.
- 17410113#41823
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.069
- 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 · 17410165