Molecule card · MolClass #51570
14736181
14736181: 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
- 14736181Mitochondrial Fusion · compound_name
- MolClass ID
- 51570
- InChIKey
- QHCISLGRPZRGEH-UHFFFAOYSA-N
- Canonical SMILES
- CN(c1cccc(c1)NC(=O)Nc2ccc(cc2)Cl)S(C)(=O)=O
- Standard InChI
- InChI=1S/C15H16ClN3O3S/c1-19(23(2,21)22)14-5-3-4-13(10-14)18-15(20)17-12-8-6-11(16)7-9-12/h3-10H,1-2H3,(H2,17,18,20)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.825 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.907
- 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 · 14736181