Molecule card · MolClass #38453
7975840
7975840: 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
- 7975840Mitochondrial Fusion · compound_name
- MolClass ID
- 38453
- InChIKey
- PDTZRSISYPNVNM-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)n3nnnc3(n2ccnc2)
- Standard InChI
- InChI=1S/C10H8N6/c1-2-4-9(5-3-1)16-10(12-13-14-16)15-7-6-11-8-15/h1-8H
- Stored Murcko scaffold
- n1nc(n(n1)-c2ccccc2)-n3cncc3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 212.211 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.078
- 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 · 7975840