Molecule card · MolClass #47620
17506022
17506022: 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
- 17506022Mitochondrial Fusion · compound_name
- MolClass ID
- 47620
- InChIKey
- MOSMCGFUJOWIOS-UHFFFAOYSA-N
- Canonical SMILES
- CCOc2ccc(cc2(Cc1c(O)nc(N)nc1(O)))C(C)=O
- Standard InChI
- InChI=1S/C15H17N3O4/c1-3-22-12-5-4-9(8(2)19)6-10(12)7-11-13(20)17-15(16)18-14(11)21/h4-6H,3,7H2,1-2H3,(H4,16,17,18,20,21)
- Stored Murcko scaffold
- n1cncc(c1)Cc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 118.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.254
- 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 · 17506022