Molecule card · MolClass #48426
14718850
14718850: 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
- 14718850Mitochondrial Fusion · compound_name
- MolClass ID
- 48426
- InChIKey
- UZZWGLMVBYGQSK-UHFFFAOYSA-N
- Canonical SMILES
- CCCn2c3ccccc3(nc2(c1nonc1(N)))
- Standard InChI
- InChI=1S/C12H13N5O/c1-2-7-17-9-6-4-3-5-8(9)14-12(17)10-11(13)16-18-15-10/h3-6H,2,7H2,1H3,(H2,13,16)
- Stored Murcko scaffold
- n1onc(c1)-c2nc3ccccc3[nH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.763
- 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 · 14718850