Molecule card · MolClass #36723
24821797
24821797: 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
- 24821797Mitochondrial Fusion · compound_name
- MolClass ID
- 36723
- InChIKey
- NKLXQSXGCPFUTE-UHFFFAOYSA-N
- Canonical SMILES
- OC1=CC(=O)C(C(C1)c2ccc3OCOc3(c2))n4cncn4
- Standard InChI
- InChI=1S/C15H13N3O4/c19-10-4-11(9-1-2-13-14(3-9)22-8-21-13)15(12(20)5-10)18-7-16-6-17-18/h1-3,5-7,11,15,19H,4,8H2
- Stored Murcko scaffold
- n1cnn(c1)C2[CH]C=CCC2c3ccc4OCOc4c3
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
- 4
- 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
- 86.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.525
- 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 · 24821797