Molecule card · MolClass #36716
24821151
24821151: 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
- 24821151Mitochondrial Fusion · compound_name
- MolClass ID
- 36716
- InChIKey
- VEJQZSQWRMMPGC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1ccc(c(c1)N3C(=O)Nc2ccccc2N3(O))Cl
- Standard InChI
- InChI=1S/C14H10ClN3O4/c15-9-6-5-8(13(19)20)7-12(9)17-14(21)16-10-3-1-2-4-11(10)18(17)22/h1-7,22H,(H,16,21)(H,19,20)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]Nc3ccccc3N2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.7 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.677
- 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 · 24821151