Molecule card · MolClass #36784
14725234
14725234: 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
- 14725234Mitochondrial Fusion · compound_name
- MolClass ID
- 36784
- InChIKey
- HSTNBBMZWJAKBB-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cc2COC(C)(C)Cc2(nc1(N))
- Standard InChI
- InChI=1S/C13H18N2O3/c1-4-17-12(16)9-5-8-7-18-13(2,3)6-10(8)15-11(9)14/h5H,4,6-7H2,1-3H3,(H2,14,15)
- Stored Murcko scaffold
- n1cccc2c1CCOC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.989
- 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 · 14725234