Molecule card · MolClass #51777
14728523
14728523: 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
- 14728523Mitochondrial Fusion · compound_name
- MolClass ID
- 51777
- InChIKey
- AXTFCFUIFZHZJY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccc(F)c1)c2ccc(o2)c3ccccc3Cl
- Standard InChI
- InChI=1S/C17H11ClFNO2/c18-14-7-2-1-6-13(14)15-8-9-16(22-15)17(21)20-12-5-3-4-11(19)10-12/h1-10H,(H,20,21)
- Stored Murcko scaffold
- o1c(ccc1-c2ccccc2)[CH]Nc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.727 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.429
- 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 · 14728523