Molecule card · MolClass #37619
24809401
24809401: 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
- 24809401Mitochondrial Fusion · compound_name
- MolClass ID
- 37619
- InChIKey
- PLEUJIDJQYIEKB-UHFFFAOYSA-N
- Canonical SMILES
- Nc1cc(O)nn1C2CCCC2
- Standard InChI
- InChI=1S/C8H13N3O/c9-7-5-8(12)10-11(7)6-3-1-2-4-6/h5-6H,1-4,9H2,(H,10,12)
- Stored Murcko scaffold
- n1cccn1C2CCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 167.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.45
- 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 · 24809401