Molecule card · MolClass #36978
24785146
24785146: 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
- 24785146Mitochondrial Fusion · compound_name
- MolClass ID
- 36978
- InChIKey
- KIVKQIXHQQYGNI-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(C2CCC3(C)(C(=O)N(CC1CO1)C2(=O)))
- Standard InChI
- InChI=1S/C13H19NO3/c1-12(2)9-4-5-13(12,3)11(16)14(10(9)15)6-8-7-17-8/h8-9H,4-7H2,1-3H3
- Stored Murcko scaffold
- O1CC1CN2[CH]C3CCC([CH]2)C3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.728
- 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 · 24785146