Molecule card · MolClass #45921
7973649
7973649: 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
- 7973649Mitochondrial Fusion · compound_name
- MolClass ID
- 45921
- InChIKey
- DYHIUQXBZCECCJ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C1C(=O)C=C(CC1(C)(C))N2CCOCC2
- Standard InChI
- InChI=1S/C14H21NO4/c1-14(2)9-10(15-4-6-19-7-5-15)8-11(16)12(14)13(17)18-3/h8,12H,4-7,9H2,1-3H3
- Stored Murcko scaffold
- O1CCN(C2=C[CH]CCC2)CC1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.113
- 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 · 7973649