Molecule card · MolClass #47387
24817581
24817581: 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
- 24817581Mitochondrial Fusion · compound_name
- MolClass ID
- 47387
- InChIKey
- FVUYOCVXLWCRIL-UHFFFAOYSA-N
- Canonical SMILES
- C=CCNC(=O)c1c(ccs1)Oc2ccc(F)cc2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H11FN2O4S/c1-2-6-16-14(18)13-12(5-7-22-13)21-11-4-3-9(15)8-10(11)17(19)20/h2-5,7-8H,1,6H2,(H,16,18)
- Stored Murcko scaffold
- O(c1cscc1)c2ccccc2
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.
- 24818348#30883
- 24821220#34101
- ON=Cc1sccc1Oc1ccccc1#154618
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 109.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.963
- 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 · 24817581