Molecule card · MolClass #51677
14731897
14731897: 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
- 14731897Mitochondrial Fusion · compound_name
- MolClass ID
- 51677
- InChIKey
- XGDZNHCEHUOXEK-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C2=CN(C(=O)c1ccccc12)N(C)c3ncc(cc3Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C18H13ClF3N3O3/c1-24(15-14(19)7-10(8-23-15)18(20,21)22)25-9-13(17(27)28-2)11-5-3-4-6-12(11)16(25)26/h3-9H,1-2H3
- Stored Murcko scaffold
- n1ccccc1NN2C=Cc3ccccc3[CH]2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 411.763 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.673
- 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 · 14731897