Molecule card · MolClass #51720
14729653
14729653: 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
- 14729653Mitochondrial Fusion · compound_name
- MolClass ID
- 51720
- InChIKey
- VZCLLMDAMDVQMG-SRZZPIQSSA-N
- Canonical SMILES
- ON=C(c1ccc(cc1Cl)Cl)c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C13H6Cl3F3N2O/c14-7-1-2-8(9(15)4-7)11(21-22)12-10(16)3-6(5-20-12)13(17,18)19/h1-5,22H/b21-11+
- Stored Murcko scaffold
- n1ccccc1[CH]c2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.554 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.447
- 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 · 14729653