Molecule card · MolClass #41469
7966328
7966328: 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
- 7966328Mitochondrial Fusion · compound_name
- MolClass ID
- 41469
- InChIKey
- GEAPDNHAYKTKGK-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC3(CC1)(OC(=O)C(C)=C3(C(=O)N(C)Cc2ccccc2))
- Standard InChI
- InChI=1S/C20H25NO3/c1-14-9-11-20(12-10-14)17(15(2)19(23)24-20)18(22)21(3)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3
- Stored Murcko scaffold
- [N]([CH]C1=C[CH]OC12CCCCC2)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.46
- 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 · 7966328