Molecule card · MolClass #37293
14744548
14744548: 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
- 14744548Mitochondrial Fusion · compound_name
- MolClass ID
- 37293
- InChIKey
- RVUQKIXCRFXABZ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c1nn(cc1(O))c2ccc3OCOc3(c2)
- Standard InChI
- InChI=1S/C12H10N2O5/c1-17-12(16)11-8(15)5-14(13-11)7-2-3-9-10(4-7)19-6-18-9/h2-5,15H,6H2,1H3
- Stored Murcko scaffold
- n1cccn1-c2ccc3OCOc3c2
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.
- 3712190#31420
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 82.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.854
- 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 · 14744548