Molecule card · MolClass #44969
24799411
24799411: 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
- 24799411Mitochondrial Fusion · compound_name
- MolClass ID
- 44969
- InChIKey
- SEZSUIXDVXXBDP-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCC(=NN1)C(=O)N2CCCC(C2)C(=O)c3ccc5CCc4cccc3c45
- Standard InChI
- InChI=1S/C23H23N3O3/c27-20-11-10-19(24-25-20)23(29)26-12-2-4-16(13-26)22(28)18-9-8-15-7-6-14-3-1-5-17(18)21(14)15/h1,3,5,8-9,16H,2,4,6-7,10-13H2,(H,25,27)
- Stored Murcko scaffold
- N=1N[CH]CCC1[CH]N2CCCC([CH]c3ccc4c5c3cccc5CC4)C2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.429
- 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 · 24799411