Molecule card · MolClass #42733
22412151
22412151: 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
- 22412151Mitochondrial Fusion · compound_name
- MolClass ID
- 42733
- InChIKey
- PLCWPZZXOZWYJR-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2cc3c(ccnc3(cc2(c1)))NCCN4CCOCC4
- Standard InChI
- InChI=1S/C19H21N3O/c1-2-4-16-14-19-17(13-15(16)3-1)18(5-6-20-19)21-7-8-22-9-11-23-12-10-22/h1-6,13-14H,7-12H2,(H,20,21)
- Stored Murcko scaffold
- n1ccc(NCCN2CCOCC2)c3cc4ccccc4cc13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.49
- 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 · 22412151