Molecule card · MolClass #39149
4260959
4260959: 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
- 4260959Mitochondrial Fusion · compound_name
- MolClass ID
- 39149
- InChIKey
- GUCFIDHZERXISD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCC3=Nn1c4ccccc4(nc1N(c2ccccc2)C3(=O))
- Standard InChI
- InChI=1S/C18H14N4O3/c23-16(24)11-10-14-17(25)21(12-6-2-1-3-7-12)18-19-13-8-4-5-9-15(13)22(18)20-14/h1-9H,10-11H2,(H,23,24)
- Stored Murcko scaffold
- N1=C[CH]N(c2ccccc2)c3nc4ccccc4n13
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
- 6
- 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
- 87.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.332
- 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 · 4260959