Molecule card · MolClass #50118
22406620
22406620: 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
- 22406620Mitochondrial Fusion · compound_name
- MolClass ID
- 50118
- InChIKey
- APBBELJERPJKIM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)C(=O)COc3ccc4CCCc4(c3)
- Standard InChI
- InChI=1S/C23H28N2O2/c1-17-5-3-8-22(18(17)2)24-11-13-25(14-12-24)23(26)16-27-21-10-9-19-6-4-7-20(19)15-21/h3,5,8-10,15H,4,6-7,11-14,16H2,1-2H3
- Stored Murcko scaffold
- O(c1ccc2c(c1)CCC2)C[CH]N3CCN(c4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.738
- 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 · 22406620