Molecule card · MolClass #45433
17411494
17411494: 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
- 17411494Mitochondrial Fusion · compound_name
- MolClass ID
- 45433
- InChIKey
- FXUIXWIFCVHFCL-UHFFFAOYSA-N
- Canonical SMILES
- OC=3C=CN(Cc1ccccc1)C(=O)C=3(Cc2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C19H16ClNO2/c20-16-8-6-14(7-9-16)12-17-18(22)10-11-21(19(17)23)13-15-4-2-1-3-5-15/h1-11,22H,12-13H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2=CC=CN([CH]2)Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.789 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.99
- 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 · 17411494