Molecule card · MolClass #49075
24824809
24824809: 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
- 24824809Mitochondrial Fusion · compound_name
- MolClass ID
- 49075
- InChIKey
- BOGKBNUNSFVUEA-UHFFFAOYSA-N
- Canonical SMILES
- CCCN(CCC)c1ccc(cc1)C(O)c2nnc(o2)c3ccccc3
- Standard InChI
- InChI=1S/C21H25N3O2/c1-3-14-24(15-4-2)18-12-10-16(11-13-18)19(25)21-23-22-20(26-21)17-8-6-5-7-9-17/h5-13,19,25H,3-4,14-15H2,1-2H3
- Stored Murcko scaffold
- n1nc(oc1-c2ccccc2)Cc3ccccc3
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.
- 5307641#10097
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.437
- 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 · 24824809