Molecule card · MolClass #40553
4262893
4262893: 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
- 4262893Mitochondrial Fusion · compound_name
- MolClass ID
- 40553
- InChIKey
- MWWWGIFATZSGSC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c2cccnc12)n3cnnn3
- Standard InChI
- InChI=1S/C11H9N5/c1-8-4-5-10(16-7-13-14-15-16)9-3-2-6-12-11(8)9/h2-7H,1H3
- Stored Murcko scaffold
- n1ncn(n1)-c2cccc3ncccc32
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 211.223 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.105
- 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 · 4262893