Molecule card · MolClass #42874
24781738
24781738: 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
- 24781738Mitochondrial Fusion · compound_name
- MolClass ID
- 42874
- InChIKey
- AXZUTKYMYIOTDE-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)C(C(=O)c1ccc(F)cc1)N2C=C(C)C=CC2(=O)
- Standard InChI
- InChI=1S/C18H19FN2O4/c1-12-3-8-15(22)21(11-12)16(18(24)20-9-10-25-2)17(23)13-4-6-14(19)7-5-13/h3-8,11,16H,9-10H2,1-2H3,(H,20,24)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]CN2C=CC=C[CH]2
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.159
- 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 · 24781738