Molecule card · MolClass #39123
14727846
14727846: 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
- 14727846Mitochondrial Fusion · compound_name
- MolClass ID
- 39123
- InChIKey
- NHBUZJDSBIXEPC-KPKJPENVSA-N
- Canonical SMILES
- CN=Cc1nc(oc1(O))c2ccccc2
- Standard InChI
- InChI=1S/C11H10N2O2/c1-12-7-9-11(14)15-10(13-9)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7+
- Stored Murcko scaffold
- n1ccoc1-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.
- 3037002#17893
- ZINC01495950#23454
- 22408619#37989
- 17406886#38887
- 857399#40858
- 4246522#52166
- 4245002#52179
- CCCCOc1ccc(cc1)c1oc(=O)c(=COCC)n1#151646
- COc1cccc(c1)c1oc(N)c(n1)C#N#154896
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.21 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.285
- 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 · 14727846