Molecule card · MolClass #48403
24819221
24819221: 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
- 24819221Mitochondrial Fusion · compound_name
- MolClass ID
- 48403
- InChIKey
- MMJGOAVBFGJMFG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N2N=C(C(=O)O)C(O)=CC2(=O)
- Standard InChI
- InChI=1S/C12H10N2O4/c1-7-2-4-8(5-3-7)14-10(16)6-9(15)11(13-14)12(17)18/h2-6,15H,1H3,(H,17,18)
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
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.
View all molecules with this scaffold →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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.082
- 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 · 24819221