Molecule card · MolClass #46917
24800699
24800699: 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
- 24800699Mitochondrial Fusion · compound_name
- MolClass ID
- 46917
- InChIKey
- GYQWWBYIEFMCHC-HNNXBMFYSA-N
- Canonical SMILES
- COC(=O)C3CCCN3(C(=O)CCc2nnc(CCC1CCCCC1)o2)
- Standard InChI
- InChI=1S/C19H29N3O4/c1-25-19(24)15-8-5-13-22(15)18(23)12-11-17-21-20-16(26-17)10-9-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3/t15-/m0/s1
- Stored Murcko scaffold
- n1nc(oc1CC[CH]N2CCCC2)CCC3CCCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.291
- 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 · 24800699