Molecule card · MolClass #36141
24816434
24816434: 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
- 24816434Mitochondrial Fusion · compound_name
- MolClass ID
- 36141
- InChIKey
- UBWONUIBYANXMY-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N2c1ccccc1N3C(=NON23)c4c(C)c(C)cc(C)c4(C)
- Standard InChI
- InChI=1S/C19H20N4O2/c1-11-10-12(2)14(4)18(13(11)3)19-20-25-23-21(15(5)24)16-8-6-7-9-17(16)22(19)23/h6-10H,1-5H3
- Stored Murcko scaffold
- N=1ON2[N]c3ccccc3N2C1c4ccccc4
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.
- 1978659#16225
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.585
- 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 · 24816434