Molecule card · MolClass #49337
24811398
24811398: 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
- 24811398Mitochondrial Fusion · compound_name
- MolClass ID
- 49337
- InChIKey
- SXFVOOSWOKCVKQ-UHFFFAOYSA-N
- Canonical SMILES
- Fc2nc(F)c(F)c(NCCCNc1c(F)c(F)nc(F)c1(F))c2(F)
- Standard InChI
- InChI=1S/C13H8F8N4/c14-4-8(5(15)11(19)24-10(4)18)22-2-1-3-23-9-6(16)12(20)25-13(21)7(9)17/h1-3H2,(H,22,24)(H,23,25)
- Stored Murcko scaffold
- n1ccc(cc1)NCCCNc2ccncc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.217 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.624
- 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 · 24811398