Molecule card · MolClass #51679
14731815
14731815: 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
- 14731815Mitochondrial Fusion · compound_name
- MolClass ID
- 51679
- InChIKey
- MNPFQRMBSBNXTA-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(cc(c1)Cl)Cn2ncnc2SCc3cccc(c3)Cl
- Standard InChI
- InChI=1S/C16H13Cl2N3S/c17-14-5-1-3-12(7-14)9-21-16(19-11-20-21)22-10-13-4-2-6-15(18)8-13/h1-8,11H,9-10H2
- Stored Murcko scaffold
- n1cnn(c1SCc2ccccc2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 56.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.891
- 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 · 14731815