Molecule card · MolClass #45817
14739532
14739532: 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
- 14739532Mitochondrial Fusion · compound_name
- MolClass ID
- 45817
- InChIKey
- FYDGNMDBQIOZON-UHFFFAOYSA-N
- Canonical SMILES
- CN(CC(=O)Nn1cnnc1)S(=O)(=O)c2ccc(cc2)Br
- Standard InChI
- InChI=1S/C11H12BrN5O3S/c1-16(6-11(18)15-17-7-13-14-8-17)21(19,20)10-4-2-9(12)3-5-10/h2-5,7-8H,6H2,1H3,(H,15,18)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]CNSc2ccccc2
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.
- 14734603#43724
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.215 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.658
- 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 · 14739532