Molecule card · MolClass #48737
3713302
3713302: 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
- 3713302Mitochondrial Fusion · compound_name
- MolClass ID
- 48737
- InChIKey
- OJGFIJSOTGXACX-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C(=O)c4cc(F)ccc4(OC=1C3=NN(C)C(=O)c2ccccc23)
- Standard InChI
- InChI=1S/C19H13FN2O3/c1-10-17(23)14-9-11(20)7-8-15(14)25-18(10)16-12-5-3-4-6-13(12)19(24)22(2)21-16/h3-9H,1-2H3
- Stored Murcko scaffold
- n1nc(C=2Oc3ccccc3[CH]C2)c4ccccc4c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.736
- 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 · 3713302