Molecule card · MolClass #38622
7965638
7965638: 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
- 7965638Mitochondrial Fusion · compound_name
- MolClass ID
- 38622
- InChIKey
- MGCHWFJGUPXVNL-GDNBJRDFSA-N
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)N=C2C(=O)C(O)=C2(OCC)
- Standard InChI
- InChI=1S/C14H20N2O5/c1-3-20-13-10(11(17)12(13)18)15-9-5-7-16(8-6-9)14(19)21-4-2/h9,18H,3-8H2,1-2H3/b15-10-
- Stored Murcko scaffold
- [N]1CCC(N=C2C=C[CH]2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.296
- 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 · 7965638