Molecule card · MolClass #44292
24807903
24807903: 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
- 24807903Mitochondrial Fusion · compound_name
- MolClass ID
- 44292
- InChIKey
- CLEKDUYIPQKABN-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(NNC(=O)c1ccco1)C(=O)N2c3ccccc3
- Standard InChI
- InChI=1S/C15H13N3O4/c19-13-9-11(16-17-14(20)12-7-4-8-22-12)15(21)18(13)10-5-2-1-3-6-10/h1-8,11,16H,9H2,(H,17,20)
- Stored Murcko scaffold
- o1cccc1[CH]NNC2[CH]N([CH]C2)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.834
- 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 · 24807903