Molecule card · MolClass #43925
24823899
24823899: 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
- 24823899Mitochondrial Fusion · compound_name
- MolClass ID
- 43925
- InChIKey
- WFGIXHLBPMEIHV-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc(CCNC(=O)c1c(N)no[n+]1([O-]))cc2(OC)
- Standard InChI
- InChI=1S/C13H16N4O5/c1-20-9-4-3-8(7-10(9)21-2)5-6-15-13(18)11-12(14)16-22-17(11)19/h3-4,7H,5-6H2,1-2H3,(H2,14,16)(H,15,18)
- Stored Murcko scaffold
- n1o[nH+]c(c1)[CH]NCCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.654
- 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 · 24823899