Molecule card · MolClass #49290
24813694
24813694: 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
- 24813694Mitochondrial Fusion · compound_name
- MolClass ID
- 49290
- InChIKey
- AEALXMXNXIICRD-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCCN(C1)c3c4ccccc4(ncc3(C(=O)c2ccccc2))
- Standard InChI
- InChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)22-19-12-6-7-13-21(19)25-15-20(22)23(27)17-9-4-3-5-10-17/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3
- Stored Murcko scaffold
- n1cc([CH]c2ccccc2)c(c3ccccc13)N4CCCCC4
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.
- 24819373#49169
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.46 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.668
- 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 · 24813694