Molecule card · MolClass #43822
24798897
24798897: 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
- 24798897Mitochondrial Fusion · compound_name
- MolClass ID
- 43822
- InChIKey
- DJVAZMGIFWWAGT-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nc4ccccc4(nc3(CN2CCN(Cc1ccc(F)c(F)c1)C(CCO)C2))
- Standard InChI
- InChI=1S/C23H26F2N4O/c1-16-23(27-22-5-3-2-4-21(22)26-16)15-28-9-10-29(18(14-28)8-11-30)13-17-6-7-19(24)20(25)12-17/h2-7,12,18,30H,8-11,13-15H2,1H3
- Stored Murcko scaffold
- n1cc(nc2ccccc12)CN3CCN(Cc4ccccc4)CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 412.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.478
- 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 · 24798897