Molecule card · MolClass #40398
14732237
14732237: 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
- 14732237Mitochondrial Fusion · compound_name
- MolClass ID
- 40398
- InChIKey
- OWESFBIHLLNJRY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(on1)C(=O)NC3=C(C)N(C)N(c2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C16H16N4O3/c1-10-9-13(23-18-10)15(21)17-14-11(2)19(3)20(16(14)22)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,17,21)
- Stored Murcko scaffold
- n1oc(cc1)[CH]NC2=CNN([CH]2)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.962
- 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 · 14732237