Molecule card · MolClass #43529
14723568
14723568: 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
- 14723568Mitochondrial Fusion · compound_name
- MolClass ID
- 43529
- InChIKey
- DYJKVFUFDARUDO-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCN2c1ccccc1N3CCN=C23
- Standard InChI
- InChI=1S/C15H21N3/c1-2-3-4-7-11-17-13-8-5-6-9-14(13)18-12-10-16-15(17)18/h5-6,8-9H,2-4,7,10-12H2,1H3
- Stored Murcko scaffold
- N1=C2Nc3ccccc3N2CC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 18.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.836
- 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 · 14723568