Molecule card · MolClass #39942
4265387
4265387: 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
- 4265387Mitochondrial Fusion · compound_name
- MolClass ID
- 39942
- InChIKey
- CATWVIZUGQQYCZ-PBEGFQAWSA-N
- Canonical SMILES
- NC(=O)c2ccccc2(N=CC=C(O)c1ccco1)
- Standard InChI
- InChI=1S/C14H12N2O3/c15-14(18)10-4-1-2-5-11(10)16-8-7-12(17)13-6-3-9-19-13/h1-9,17H,(H2,15,18)/b12-7-,16-8+
- Stored Murcko scaffold
- N(=CC=Cc1occc1)c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.154
- 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 · 4265387