Molecule card · MolClass #44174
24819024
24819024: 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
- 24819024Mitochondrial Fusion · compound_name
- MolClass ID
- 44174
- InChIKey
- YYBHHWHKJLLPPJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cncn1)NCc2cc(F)ccc2(F)
- Standard InChI
- InChI=1S/C11H10F2N4O/c12-9-1-2-10(13)8(3-9)4-15-11(18)5-17-7-14-6-16-17/h1-3,6-7H,4-5H2,(H,15,18)
- Stored Murcko scaffold
- n1cnn(c1)C[CH]NCc2ccccc2
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
- 4
- 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
- 59.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.944
- 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 · 24819024