Molecule card · MolClass #46346
24786410
24786410: 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
- 24786410Mitochondrial Fusion · compound_name
- MolClass ID
- 46346
- InChIKey
- AYIYTQRDNBDFOW-UHFFFAOYSA-N
- Canonical SMILES
- COc4ccc(Cc3noc(CN(C)CC1(CCCCC1)N2CCOCC2)n3)cc4(OC)
- Standard InChI
- InChI=1S/C24H36N4O4/c1-27(18-24(9-5-4-6-10-24)28-11-13-31-14-12-28)17-23-25-22(26-32-23)16-19-7-8-20(29-2)21(15-19)30-3/h7-8,15H,4-6,9-14,16-18H2,1-3H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CNCC3(N4CCOCC4)CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 444.568 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.564
- 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 · 24786410