Molecule card · MolClass #41473
24799107
24799107: 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
- 24799107Mitochondrial Fusion · compound_name
- MolClass ID
- 41473
- InChIKey
- WSGIMKIJGYDCDW-UHFFFAOYSA-N
- Canonical SMILES
- CN(CCc1cnn(C)c1)Cc2cn(C)nc2c3ccccc3(F)
- Standard InChI
- InChI=1S/C18H22FN5/c1-22(9-8-14-10-20-23(2)11-14)12-15-13-24(3)21-18(15)16-6-4-5-7-17(16)19/h4-7,10-11,13H,8-9,12H2,1-3H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CCNCc2c[nH]nc2-c3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.72
- 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 · 24799107