Molecule card · MolClass #39582
861768
861768: 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
- 861768Mitochondrial Fusion · compound_name
- MolClass ID
- 39582
- InChIKey
- PZHSWXZQRBFJRO-UHFFFAOYSA-N
- Canonical SMILES
- CN3CCc1ccccc1C3(C2CCNCC2)
- Standard InChI
- InChI=1S/C15H22N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-5,13,15-16H,6-11H2,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)CCNC2C3CCNCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 15.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.074
- 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 · 861768