Molecule card · MolClass #43105
14741173
14741173: 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
- 14741173Mitochondrial Fusion · compound_name
- MolClass ID
- 43105
- InChIKey
- GQPKHYLBDZZBAC-UHFFFAOYSA-N
- Canonical SMILES
- CCCOc1ccc(cc1)N3C(=O)C4ON(c2ccccc2)C(CCC)C4(C3(=O))
- Standard InChI
- InChI=1S/C23H26N2O4/c1-3-8-19-20-21(29-25(19)17-9-6-5-7-10-17)23(27)24(22(20)26)16-11-13-18(14-12-16)28-15-4-2/h5-7,9-14,19-21H,3-4,8,15H2,1-2H3
- Stored Murcko scaffold
- O1N(c2ccccc2)CC3[CH]N([CH]C13)c4ccccc4
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.
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.781
- 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 · 14741173