Molecule card · MolClass #36720
24780100
24780100: 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
- 24780100Mitochondrial Fusion · compound_name
- MolClass ID
- 36720
- InChIKey
- OEANJVRCXHQERV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)CC(C(=O)O)n2cnc(n2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H12N4O5/c1-8-2-4-9(5-3-8)11(18)6-10(12(19)20)16-7-14-13(15-16)17(21)22/h2-5,7,10H,6H2,1H3,(H,19,20)
- Stored Murcko scaffold
- n1cnn(c1)CC[CH]c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.556
- 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 · 24780100