Molecule card · MolClass #46443
24799712
24799712: 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
- 24799712Mitochondrial Fusion · compound_name
- MolClass ID
- 46443
- InChIKey
- XQFXPPXHGTVPBL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1(CCN(CC1)C(=O)CCn2ccc(C)n2)Cc3ccc(cc3)OC
- Standard InChI
- InChI=1S/C23H31N3O4/c1-4-30-22(28)23(17-19-5-7-20(29-3)8-6-19)11-15-25(16-12-23)21(27)10-14-26-13-9-18(2)24-26/h5-9,13H,4,10-12,14-17H2,1-3H3
- Stored Murcko scaffold
- n1cccn1CC[CH]N2CCC(Cc3ccccc3)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.
No other molecules currently have this stored scaffold.
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
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.511 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.471
- 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 · 24799712