Molecule card · MolClass #35657
14728457
14728457: 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
- 14728457Mitochondrial Fusion · compound_name
- MolClass ID
- 35657
- InChIKey
- SLLMOBZQBIQARH-UHFFFAOYSA-N
- Canonical SMILES
- CCN(N=Nc1nonc1(OC))c2nonc2(OC)
- Standard InChI
- InChI=1S/C8H11N7O4/c1-4-15(6-8(17-3)13-19-11-6)14-9-5-7(16-2)12-18-10-5/h4H2,1-3H3
- Stored Murcko scaffold
- N(=Nc1nonc1)Nc2nonc2
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.
- 14739269#27229
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.218 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.253
- 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 · 14728457