Molecule card · MolClass #39407
22411179
22411179: 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
- 22411179Mitochondrial Fusion · compound_name
- MolClass ID
- 39407
- InChIKey
- AFZCDNCYOPGSGX-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C=CC2=NC(=CC(=O)N2(C=1))CSc4nnc(Nc3ccccc3(F))s4
- Standard InChI
- InChI=1S/C18H14FN5OS2/c1-11-6-7-15-20-12(8-16(25)24(15)9-11)10-26-18-23-22-17(27-18)21-14-5-3-2-4-13(14)19/h2-9H,10H2,1H3,(H,21,22)
- Stored Murcko scaffold
- n1nc(sc1SCC=2N=C3C=CC=CN3[CH]C2)Nc4ccccc4
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.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.934
- 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 · 22411179