Molecule card · MolClass #45440
24808637
24808637: 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
- 24808637Mitochondrial Fusion · compound_name
- MolClass ID
- 45440
- InChIKey
- OYUIFQXAGLWNNS-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=O)c2cn(CCC#N)nc2(c1ccc(F)cc1)
- Standard InChI
- InChI=1S/C17H19FN4O/c1-3-21(4-2)17(23)15-12-22(11-5-10-19)20-16(15)13-6-8-14(18)9-7-13/h6-9,12H,3-5,11H2,1-2H3
- Stored Murcko scaffold
- n1[nH]ccc1-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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.578
- 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 · 24808637