Molecule card · MolClass #35851
4262125
4262125: 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
- 4262125Mitochondrial Fusion · compound_name
- MolClass ID
- 35851
- InChIKey
- DXCXLALNKIKFIS-UHFFFAOYSA-N
- Canonical SMILES
- [O-][N+]4=CC(c1ccc(cc1)c2ccccc2)=[N+]([O-])C3CCCCC34
- Standard InChI
- InChI=1S/C20H20N2O2/c23-21-14-20(22(24)19-9-5-4-8-18(19)21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14,18-19H,4-5,8-9H2
- Stored Murcko scaffold
- c1ccc(cc1)-c2ccc(cc2)C=3C=[NH+]C4CCCCC4[NH+]3
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.37
- 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 · 4262125