Molecule card · MolClass #35964
3715207
3715207: 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
- 3715207Mitochondrial Fusion · compound_name
- MolClass ID
- 35964
- InChIKey
- YATFWJWMBNZTGR-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c3nn4nnnc4(c2ccccc23)
- Standard InChI
- InChI=1S/C14H9N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-17-18-19(14)16-13/h1-9H
- Stored Murcko scaffold
- n1nc2c3ccccc3c(nn2n1)-c4ccccc4
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
- 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
- 55.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.017
- 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 · 3715207