Molecule card · MolClass #37696
24782256
24782256: 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
- 24782256Mitochondrial Fusion · compound_name
- MolClass ID
- 37696
- InChIKey
- ZZRPFPOMYRGIMI-UHFFFAOYSA-N
- Canonical SMILES
- C=CC[N+]1(CC=C)(CCOCC1)
- Standard InChI
- InChI=1S/C10H18NO/c1-3-5-11(6-4-2)7-9-12-10-8-11/h3-4H,1-2,5-10H2/q+1
- Stored Murcko scaffold
- O1CC[NH2+]CC1
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.
- 23165-19-7#8993
- 26667215#25965
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 9.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 168.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.702
- 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 · 24782256