Molecule card · MolClass #41160
17504987
17504987: 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
- 17504987Mitochondrial Fusion · compound_name
- MolClass ID
- 41160
- InChIKey
- FUYGFKAMQYZWFG-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(CC(=O)Nc1cnc(O)nc1(O))
- Standard InChI
- InChI=1S/C13H13N3O4/c1-20-10-5-3-2-4-8(10)6-11(17)15-9-7-14-13(19)16-12(9)18/h2-5,7H,6H2,1H3,(H,15,17)(H2,14,16,18,19)
- Stored Murcko scaffold
- n1cncc(c1)N[CH]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.
No other molecules currently have this stored scaffold.
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
- 104.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.5
- 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 · 17504987