Molecule card · MolClass #13512
1603673
1603673: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
3 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24824147Mitochondrial Fusion · compound_name
- MolClass ID
- 13512
- InChIKey
- HFXBOPGUQAUMHA-UHFFFAOYSA-N
- Canonical SMILES
- COC1CC(=O)N(C)c2c(cccc12)OCC3OC(C)(C)OC3(C)(C)
- Standard InChI
- InChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3
- Stored Murcko scaffold
- O(c1cccc2C=C[CH]Nc12)CC3OCOC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.742
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1603673
Auto-fluorescence Prediction
Dataset #13 · 1603673
Mitochondrial Fusion
Dataset #19 · 24824147