Molecule card · MolClass #45476
24807527
24807527: 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
- 24807527Mitochondrial Fusion · compound_name
- MolClass ID
- 45476
- InChIKey
- WIGQBWDXTHLXBF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc(C)c2c(C)n(c(C)c12)c4cccc3cccnc34
- Standard InChI
- InChI=1S/C19H18N4/c1-11-17-13(3)23(14(4)18(17)12(2)22-21-11)16-9-5-7-15-8-6-10-20-19(15)16/h5-10H,1-4H3
- Stored Murcko scaffold
- n1ncc2cn(cc2c1)-c3cccc4cccnc43
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
- 3
- 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
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.48
- 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 · 24807527