Molecule card · MolClass #38093
14736461
14736461: 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
- 14736461Mitochondrial Fusion · compound_name
- MolClass ID
- 38093
- InChIKey
- FVXAAVIYAFHSTB-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2nnn(c2(COc1ccc(F)cc1))c3nonc3(N)
- Standard InChI
- InChI=1S/C14H13FN6O4/c1-2-23-14(22)11-10(7-24-9-5-3-8(15)4-6-9)21(20-17-11)13-12(16)18-25-19-13/h3-6H,2,7H2,1H3,(H2,16,18)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1)COc3ccccc3
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.
- 24794701#38345
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.509
- 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 · 14736461