Molecule card · MolClass #37340
24800646
24800646: 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
- 24800646Mitochondrial Fusion · compound_name
- MolClass ID
- 37340
- InChIKey
- PCLJRUFFIAQPFH-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccccc1))Cc3ccon3
- Standard InChI
- InChI=1S/C17H23N3O2/c21-10-6-17-14-19(13-16-7-11-22-18-16)8-9-20(17)12-15-4-2-1-3-5-15/h1-5,7,11,17,21H,6,8-10,12-14H2
- Stored Murcko scaffold
- n1occc1CN2CCN(Cc3ccccc3)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.489
- 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 · 24800646