Molecule card · MolClass #39755
24810145
24810145: 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
- 24810145Mitochondrial Fusion · compound_name
- MolClass ID
- 39755
- InChIKey
- HEECIHQTQAGEGJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCn1cnc(n1)[N+](=O)[O-])Nc3cccc2ccccc23
- Standard InChI
- InChI=1S/C16H15N5O3/c22-15(9-4-10-20-11-17-16(19-20)21(23)24)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,11H,4,9-10H2,(H,18,22)
- Stored Murcko scaffold
- n1cnn(c1)CCC[CH]Nc2cccc3ccccc32
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.635
- 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 · 24810145