Molecule card · MolClass #39873
4241348
4241348: 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
- 4241348Mitochondrial Fusion · compound_name
- MolClass ID
- 39873
- InChIKey
- OREIGNKBXRWGNP-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(c1cccc(F)c1)C=3C(=O)CCCC=3(N2)
- Standard InChI
- InChI=1S/C15H14FNO2/c16-10-4-1-3-9(7-10)11-8-14(19)17-12-5-2-6-13(18)15(11)12/h1,3-4,7,11H,2,5-6,8H2,(H,17,19)
- Stored Murcko scaffold
- c1ccc(cc1)C2C=3[CH]CCCC3N[CH]C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.123
- 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 · 4241348