Molecule card · MolClass #37783
26719803
26719803: 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
- 26719803Mitochondrial Fusion · compound_name
- MolClass ID
- 37783
- InChIKey
- LEPBHAAYNPPRRA-WMZHIEFXSA-N
- Canonical SMILES
- CN1CCC2(Cc3nc4ccccc4(cc3(CC2(C1))))(c5cccc(O)c5)
- Standard InChI
- InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
- Stored Murcko scaffold
- n1c2ccccc2cc3c1CC4(c5ccccc5)CCNCC4C3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.459
- 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 · 26719803