Molecule card · MolClass #37123
4260419
4260419: 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
- 4260419Mitochondrial Fusion · compound_name
- MolClass ID
- 37123
- InChIKey
- OGWZSNCXLMLDJO-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C3=C(C)n4nnnc4(NC3(c1cc2ccccc2(o1)))
- Standard InChI
- InChI=1S/C15H13N5O3/c1-8-12(14(21)22-2)13(16-15-17-18-19-20(8)15)11-7-9-5-3-4-6-10(9)23-11/h3-7,13H,1-2H3,(H,16,17,19)
- Stored Murcko scaffold
- n1nc2NC(C=Cn2n1)c3oc4ccccc4c3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.871
- 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 · 4260419