Molecule card · MolClass #47324
14746203
14746203: 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
- 14746203Mitochondrial Fusion · compound_name
- MolClass ID
- 47324
- InChIKey
- BKGJQOWUFHIBRQ-VIZOYTHASA-N
- Canonical SMILES
- COc2cccc(C=NNC(=O)CC1C(C)=NNC1(=O))c2(O)
- Standard InChI
- InChI=1S/C14H16N4O4/c1-8-10(14(21)18-16-8)6-12(19)17-15-7-9-4-3-5-11(22-2)13(9)20/h3-5,7,10,20H,6H2,1-2H3,(H,17,19)(H,18,21)/b15-7+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N[CH]CC2C=NN[CH]2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.954
- 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 · 14746203