Molecule card · MolClass #42820
863377
863377: 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
- 863377Mitochondrial Fusion · compound_name
- MolClass ID
- 42820
- InChIKey
- GLQHFFYQNBJTAH-UHFFFAOYSA-N
- Canonical SMILES
- O=C3CC2(CON=C2(c1ccc(F)cc1))(C(=O)N3c4ccc(F)cc4)
- Standard InChI
- InChI=1S/C18H12F2N2O3/c19-12-3-1-11(2-4-12)16-18(10-25-21-16)9-15(23)22(17(18)24)14-7-5-13(20)6-8-14/h1-8H,9-10H2
- Stored Murcko scaffold
- N=1OCC2([CH]N([CH]C2)c3ccccc3)C1c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.116
- 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 · 863377