Molecule card · MolClass #48517
14744551
14744551: 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
- 14744551Mitochondrial Fusion · compound_name
- MolClass ID
- 48517
- InChIKey
- ZBORQOLOIKMONX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cc(cc(c1)n2cc(O)c(n2)C(=O)OCC)C(=O)OCC
- Standard InChI
- InChI=1S/C18H20N2O7/c1-4-25-16(22)11-7-12(17(23)26-5-2)9-13(8-11)20-10-14(21)15(19-20)18(24)27-6-3/h7-10,21H,4-6H2,1-3H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.506
- 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 · 14744551