Molecule card · MolClass #40539
24837628
24837628: 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
- 24837628Mitochondrial Fusion · compound_name
- MolClass ID
- 40539
- InChIKey
- ZWCCBSUUUFLVGK-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)c2cncn2(c1ccc(F)cc1)
- Standard InChI
- InChI=1S/C10H9FN4O/c11-7-1-3-8(4-2-7)15-6-13-5-9(15)10(16)14-12/h1-6H,12H2,(H,14,16)
- Stored Murcko scaffold
- n1ccn(c1)-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.
View all molecules with this 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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.203 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.413
- 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 · 24837628