Molecule card · MolClass #43967
4259269
4259269: 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
- 4259269Mitochondrial Fusion · compound_name
- MolClass ID
- 43967
- InChIKey
- UFZGCEHJTOJENX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c3ccccc3(oc2(C(=O)Nn1cnnc1))
- Standard InChI
- InChI=1S/C12H10N4O2/c1-8-9-4-2-3-5-10(9)18-11(8)12(17)15-16-6-13-14-7-16/h2-7H,1H3,(H,15,17)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]c2oc3ccccc3c2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.242
- 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 · 4259269