Molecule card · MolClass #36859
24823624
24823624: 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
- 24823624Mitochondrial Fusion · compound_name
- MolClass ID
- 36859
- InChIKey
- SEPNQLJSZWWRHV-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cccc(c1)NC(=O)CCCn2cnc(n2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H13N5O4/c18-10-4-1-3-9(7-10)14-11(19)5-2-6-16-8-13-12(15-16)17(20)21/h1,3-4,7-8,18H,2,5-6H2,(H,14,19)
- Stored Murcko scaffold
- n1cnn(c1)CCC[CH]Nc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 123.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.963
- 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 · 24823624