Molecule card · MolClass #35870
24823480
24823480: 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
- 24823480Mitochondrial Fusion · compound_name
- MolClass ID
- 35870
- InChIKey
- SKBUNFJOVJMORH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(nnn1c2nonc2(N))C(=O)O
- Standard InChI
- InChI=1S/C6H6N6O3/c1-2-3(6(13)14)8-11-12(2)5-4(7)9-15-10-5/h1H3,(H2,7,9)(H,13,14)
- Stored Murcko scaffold
- n1nn(cc1)-c2nonc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 132.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 210.15 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.205
- 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 · 24823480