Molecule card · MolClass #39013
857965
857965: 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
- 857965Mitochondrial Fusion · compound_name
- MolClass ID
- 39013
- InChIKey
- WUMJQCTZODTZAB-WQRHYEAKSA-N
- Canonical SMILES
- CCCCC(=NCCO)C=1C(=O)CC(C)(C)C(C(=O)OC)C=1(O)
- Standard InChI
- InChI=1S/C17H27NO5/c1-5-6-7-11(18-8-9-19)13-12(20)10-17(2,3)14(15(13)21)16(22)23-4/h14,19,21H,5-10H2,1-4H3/b18-11-
- Stored Murcko scaffold
- C1=CCCC[CH]1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.892
- 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 · 857965