Molecule card · MolClass #45305
7975743
7975743: 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
- 7975743Mitochondrial Fusion · compound_name
- MolClass ID
- 45305
- InChIKey
- FOYWKWLNIFGTDK-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C3=C(N)OC=1CC(C)(C)CC(=O)C=1C3(C2CCCCC2)
- Standard InChI
- InChI=1S/C20H29NO4/c1-4-24-19(23)17-15(12-8-6-5-7-9-12)16-13(22)10-20(2,3)11-14(16)25-18(17)21/h12,15H,4-11,21H2,1-3H3
- Stored Murcko scaffold
- O1C=CC(C=2[CH]CCCC12)C3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.801
- 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 · 7975743