Molecule card · MolClass #51633
14733962
14733962: 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
- 14733962Mitochondrial Fusion · compound_name
- MolClass ID
- 51633
- InChIKey
- CCNHJWKQNZUWBC-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccnc(c1(C#N))N(Cc2ccccc2)Cc3ccccc3
- Standard InChI
- InChI=1S/C22H22N4/c1-25(2)21-13-14-24-22(20(21)15-23)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1N(Cc2ccccc2)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.059
- 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 · 14733962