Molecule card · MolClass #36805
24785584
24785584: 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
- 24785584Mitochondrial Fusion · compound_name
- MolClass ID
- 36805
- InChIKey
- ODEJDJRIOMBXEY-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(C(=O)NC(=O)OCCn1c(C)cnc1[N+](=O)[O-])
- Standard InChI
- InChI=1S/C15H16N4O6/c1-10-9-16-14(19(22)23)18(10)7-8-25-15(21)17-13(20)11-5-3-4-6-12(11)24-2/h3-6,9H,7-8H2,1-2H3,(H,17,20,21)
- Stored Murcko scaffold
- n1ccn(c1)CCO[CH]N[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.
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.319
- 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 · 24785584