Molecule card · MolClass #37474
24802005
24802005: 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
- 24802005Mitochondrial Fusion · compound_name
- MolClass ID
- 37474
- InChIKey
- JFEMZDOGRMRCBH-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3ccccc3(c1nc(O)c2c(n1)c(nn2(C))C(C)(C)C)
- Standard InChI
- InChI=1S/C18H22N4O2/c1-6-24-12-10-8-7-9-11(12)16-19-13-14(17(23)20-16)22(5)21-15(13)18(2,3)4/h7-10H,6H2,1-5H3,(H,19,20,23)
- Stored Murcko scaffold
- n1cc2nc(ncc2[nH]1)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.366
- 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 · 24802005