Molecule card · MolClass #52129
4254441
4254441: 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
- 4254441Mitochondrial Fusion · compound_name
- MolClass ID
- 52129
- InChIKey
- OZXGWVJEOJGCGS-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C(=O)N(Cc2nc(no2)c3ccc(C)cc3)C4CCCCC4
- Standard InChI
- InChI=1S/C25H29N3O4/c1-17-9-11-18(12-10-17)24-26-23(32-27-24)16-28(20-7-5-4-6-8-20)25(29)19-13-14-21(30-2)22(15-19)31-3/h9-15,20H,4-8,16H2,1-3H3
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)CN([CH]c3ccccc3)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.
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.516 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.245
- 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 · 4254441