Molecule card · MolClass #47854
7968025
7968025: 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
- 7968025Mitochondrial Fusion · compound_name
- MolClass ID
- 47854
- InChIKey
- CGWSQWZPQGCSTR-UHFFFAOYSA-N
- Canonical SMILES
- CCN(c1ccccc1)c3cc(C)nc2nc(C)nn23
- Standard InChI
- InChI=1S/C15H17N5/c1-4-19(13-8-6-5-7-9-13)14-10-11(2)16-15-17-12(3)18-20(14)15/h5-10H,4H2,1-3H3
- Stored Murcko scaffold
- n1cnn2c1nccc2Nc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.473
- 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 · 7968025