Molecule card · MolClass #41397
24824151
24824151: 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
- 24824151Mitochondrial Fusion · compound_name
- MolClass ID
- 41397
- InChIKey
- QOAKBKOUXFNSEM-UHFFFAOYSA-N
- Canonical SMILES
- CN2C1CCC2(CC(C1)=NO)
- Standard InChI
- InChI=1S/C8H14N2O/c1-10-7-2-3-8(10)5-6(4-7)9-11/h7-8,11H,2-5H2,1H3
- Stored Murcko scaffold
- [CH]1CC2NC(C1)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.
- 6-Hydroxytropinone#1895
- Cl.CN1C2CCC1CC(C2)=NO#154332
- CN1C2CC(O)C1CC(=O)C2#155080
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 154.21 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.311
- 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 · 24824151