Molecule card · MolClass #36917
24794011
24794011: 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
- 24794011Mitochondrial Fusion · compound_name
- MolClass ID
- 36917
- InChIKey
- RKOFZSAIAPVLCJ-UHFFFAOYSA-N
- Canonical SMILES
- CC=1Oc4cc(O)ccc4(C(=O)C=1c3nncn3(c2ccccc2))
- Standard InChI
- InChI=1S/C18H13N3O3/c1-11-16(17(23)14-8-7-13(22)9-15(14)24-11)18-20-19-10-21(18)12-5-3-2-4-6-12/h2-10,22H,1H3
- Stored Murcko scaffold
- n1nc(C2=COc3ccccc3[CH]2)n(c1)-c4ccccc4
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.
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
- 77.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.277
- 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 · 24794011