Molecule card · MolClass #36408
4255610
4255610: 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
- 4255610Mitochondrial Fusion · compound_name
- MolClass ID
- 36408
- InChIKey
- OSYGQVBMAWMOPA-UHFFFAOYSA-N
- Canonical SMILES
- Nc3ncnc2c3(ncn2(CCNCCc1ccccc1))
- Standard InChI
- InChI=1S/C15H18N6/c16-14-13-15(19-10-18-14)21(11-20-13)9-8-17-7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2,(H2,16,18,19)
- Stored Murcko scaffold
- n1cnc2c(ncn2CCNCCc3ccccc3)c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.449
- 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 · 4255610