Molecule card · MolClass #46484
24799824
24799824: 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
- 24799824Mitochondrial Fusion · compound_name
- MolClass ID
- 46484
- InChIKey
- OLCJOYWUQBVCLB-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cccc(CN3CCN(Cc1cnn(c1)c2ccccc2(F))CC3(CCO))n4
- Standard InChI
- InChI=1S/C23H28FN5O/c1-18-5-4-6-20(26-18)16-28-11-10-27(17-21(28)9-12-30)14-19-13-25-29(15-19)23-8-3-2-7-22(23)24/h2-8,13,15,21,30H,9-12,14,16-17H2,1H3
- Stored Murcko scaffold
- n1ccccc1CN2CCN(Cc3cnn(c3)-c4ccccc4)CC2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.501 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.221
- 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 · 24799824