Molecule card · MolClass #51984
7974937
7974937: 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
- 7974937Mitochondrial Fusion · compound_name
- MolClass ID
- 51984
- InChIKey
- NHUAWYCMFLPHNP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCN(CC1)C(=O)Cc2ccc(OC)c(c2)OC
- Standard InChI
- InChI=1S/C18H25NO5/c1-4-24-18(21)14-7-9-19(10-8-14)17(20)12-13-5-6-15(22-2)16(11-13)23-3/h5-6,11,14H,4,7-10,12H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)C[CH]N2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.603
- 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 · 7974937