Molecule card · MolClass #48421
843634
843634: 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
- 843634Mitochondrial Fusion · compound_name
- MolClass ID
- 48421
- InChIKey
- HXQWLCLDEMCFDU-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2(C)
- Standard InChI
- InChI=1S/C10H14N4O4/c1-5(15)13-8-7(11(3)9(13)17)12(4)10(18)14(8)6(2)16/h7-8H,1-4H3
- Stored Murcko scaffold
- [N]1[CH][N]C2[N][CH][N]C12
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.
- 24785750#47936
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- 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
- 81.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.243 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.274
- 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 · 843634