Molecule card · MolClass #51538
14737889
14737889: 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
- 14737889Mitochondrial Fusion · compound_name
- MolClass ID
- 51538
- InChIKey
- COPJTIMPDNPNAS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)Cc3cn(C)c4ccccc34
- Standard InChI
- InChI=1S/C23H27N3O/c1-17-8-9-18(2)22(14-17)25-10-12-26(13-11-25)23(27)15-19-16-24(3)21-7-5-4-6-20(19)21/h4-9,14,16H,10-13,15H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN([CH]Cc3c[nH]c4ccccc43)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.387
- 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 · 14737889