Molecule card · MolClass #52263
3715150
3715150: 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
- 3715150Mitochondrial Fusion · compound_name
- MolClass ID
- 52263
- InChIKey
- OLMOQRUABDEHPS-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)c3nnc(NC(=O)c2ccc(OCC(C)C)c(c2)OC)o3
- Standard InChI
- InChI=1S/C22H25N3O5/c1-5-28-17-9-6-15(7-10-17)21-24-25-22(30-21)23-20(26)16-8-11-18(19(12-16)27-4)29-13-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,25,26)
- Stored Murcko scaffold
- n1nc(oc1N[CH]c2ccccc2)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 411.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.333
- 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 · 3715150