Molecule card · MolClass #42137
4263051
4263051: 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
- 4263051Mitochondrial Fusion · compound_name
- MolClass ID
- 42137
- InChIKey
- VENYYHKTSJZZIX-UHFFFAOYSA-N
- Canonical SMILES
- Nc2nc3c4ccccc4(nc(C1CC1)n3(n2))
- Standard InChI
- InChI=1S/C12H11N5/c13-12-15-11-8-3-1-2-4-9(8)14-10(7-5-6-7)17(11)16-12/h1-4,7H,5-6H2,(H2,13,16)
- Stored Murcko scaffold
- n1cnn2c1c3ccccc3nc2C4CC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.224
- 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 · 4263051