Molecule card · MolClass #44708
7974652
7974652: 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
- 7974652Mitochondrial Fusion · compound_name
- MolClass ID
- 44708
- InChIKey
- WQAMFFJSEXOHTM-RQZCQDPDSA-N
- Canonical SMILES
- CC=2C=CC3=NC(Nc1ccccc1)=C(C=NO)C(=O)N3(C=2)
- Standard InChI
- InChI=1S/C16H14N4O2/c1-11-7-8-14-19-15(18-12-5-3-2-4-6-12)13(9-17-22)16(21)20(14)10-11/h2-10,18,22H,1H3/b17-9+
- Stored Murcko scaffold
- N=1C(=C[CH]N2C=CC=CC12)Nc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.318
- 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 · 7974652