Molecule card · MolClass #37529
14738753
14738753: 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
- 14738753Mitochondrial Fusion · compound_name
- MolClass ID
- 37529
- InChIKey
- CRRXDFPYPAMCBG-UHFFFAOYSA-N
- Canonical SMILES
- [O-][n+]4cc(c2cccc1ccccc12)[n+]([O-])c3CCCc34
- Standard InChI
- InChI=1S/C17H14N2O2/c20-18-11-17(19(21)16-10-4-9-15(16)18)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,11H,4,9-10H2
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2-c3c[nH+]c4c([nH+]3)CCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.381
- 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 · 14738753