Molecule card · MolClass #41793
24810344
24810344: 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
- 24810344Mitochondrial Fusion · compound_name
- MolClass ID
- 41793
- InChIKey
- IMIINWMSICYQIT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN2C=Cc1ccccc1C2(=O))NCC(=O)N3CCC4(CC3)(OCCO4)
- Standard InChI
- InChI=1S/C20H23N3O5/c24-17(14-23-8-5-15-3-1-2-4-16(15)19(23)26)21-13-18(25)22-9-6-20(7-10-22)27-11-12-28-20/h1-5,8H,6-7,9-14H2,(H,21,24)
- Stored Murcko scaffold
- O1CCOC12CCN([CH]CN[CH]CN3C=Cc4ccccc4[CH]3)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.
- 24810713#40987
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- 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
- 88.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.267
- 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 · 24810344