Molecule card · MolClass #41087
14723834
14723834: 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
- 14723834Mitochondrial Fusion · compound_name
- MolClass ID
- 41087
- InChIKey
- WQRGFXWTNZARPJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)OCCn3cnc2c(N)ncnc23
- Standard InChI
- InChI=1S/C14H15N5O/c1-10-2-4-11(5-3-10)20-7-6-19-9-18-12-13(15)16-8-17-14(12)19/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17)
- Stored Murcko scaffold
- n1cnc2c(ncn2CCOc3ccccc3)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.
- 24782829#47009
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.131
- 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 · 14723834