Molecule card · MolClass #38345
24794701
24794701: 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
- 24794701Mitochondrial Fusion · compound_name
- MolClass ID
- 38345
- InChIKey
- XZJIZDZKFANRFK-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2nnn(c2(COc1ccc(C=O)cc1(OC)))c3nonc3(N)
- Standard InChI
- InChI=1S/C15H14N6O6/c1-24-11-5-8(6-22)3-4-10(11)26-7-9-12(15(23)25-2)17-20-21(9)14-13(16)18-27-19-14/h3-6H,7H2,1-2H3,(H2,16,18)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1)COc3ccccc3
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.
- 14736461#38093
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 157.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.268
- 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 · 24794701