Molecule card · MolClass #42543
14732635
14732635: 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
- 14732635Mitochondrial Fusion · compound_name
- MolClass ID
- 42543
- InChIKey
- XTLLXANEARQTHQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=2Cn3c4ccccc4(nc3(N(C)N=2))
- Standard InChI
- InChI=1S/C17H16N4/c1-12-7-9-13(10-8-12)15-11-21-16-6-4-3-5-14(16)18-17(21)20(2)19-15/h3-10H,11H2,1-2H3
- Stored Murcko scaffold
- N=1Nc2nc3ccccc3n2CC1c4ccccc4
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.
- 14729340#38691
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
- 33.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.127
- 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 · 14732635