Molecule card · MolClass #47570
24841637
24841637: 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
- 24841637Mitochondrial Fusion · compound_name
- MolClass ID
- 47570
- InChIKey
- CGMJUUWBYAWCCS-ZQIUZPCESA-N
- Canonical SMILES
- CCOC2OC(=CC(C1CC1)C2(CCCO))C(=O)NC3CC3
- Standard InChI
- InChI=1S/C17H27NO4/c1-2-21-17-13(4-3-9-19)14(11-5-6-11)10-15(22-17)16(20)18-12-7-8-12/h10-14,17,19H,2-9H2,1H3,(H,18,20)/t13-,14-,17-/m0/s1
- Stored Murcko scaffold
- O1C([CH]NC2CC2)=CC(CC1)C3CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.605
- 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 · 24841637